2-甲基-5-苯基呋喃-3-羰酰氯 | 175276-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 2-甲基-5-苯基呋喃-3-羰酰氯
• 英文名称: 5-phenyl-2-methyl-3-furoyl chloride
• 英文别名: 2-methyl-5-phenyl-furan-3-carbonyl chloride；2-Methyl-5-phenylfuran-3-carbonyl chloride
• CAS: 175276-57-0
• 化学式: C₁₂H₉ClO₂
• mdl: MFCD00221071
• 分子量: 220.655
• InChiKey: UJABSZITRMATFL-UHFFFAOYSA-N

物化性质

• 熔点：
  85 °C
• 沸点：
  85-88°C
• 密度：
  1.224±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090

SDS

Name:	2-Methyl-5-phenylfuran-3-carbonyl chloride Material Safety Data Sheet
Synonym:
CAS:	175276-57-0

Section 1 - Chemical Product MSDS Name: 2-Methyl-5-phenylfuran-3-carbonyl chloride Material Safety Data Sheet
Synonym:

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175276-57-0	2-Methyl-5-phenylfuran-3-carbonyl chlo	97%	unlisted

+++++
Hazard Symbols: C

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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SECTION 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store under nitrogen.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 175276-57-0: Personal Protective Equipment
Eyes:
Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 85 - 88 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H9ClO2
Molecular Weight: 221

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 175276-57-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-5-phenylfuran-3-carbonyl chloride - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 175276-57-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175276-57-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175276-57-0 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 3/21/2003 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-甲基-5-苯基呋喃-3-羰酰氯 在 N-溴代丁二酰亚胺(NBS) 、 三氯化铝 作用下， 以 四氯化碳 、 二甲基亚砜 为溶剂， 反应 8.0h， 生成 (2-溴甲基-5-苯基-呋喃-3-基)-苯基-甲酮
  参考文献：
  名称：

  1 H-噻吩并[3,4- c ]吡唑，噻吩并[3,4- b ]呋喃，硒代[3,4- b ]呋喃和吡咯并[3,4- d ]噻唑的合成

  摘要：

  从现成的芳基2-甲基-5-苯基-3-呋喃酮，5-甲基-1 H -1-苯基吡唑-4-基酮和4-甲基-2-苯基-5-噻唑基甲醛开始2-苯基-4-芳基噻吩并[3,4 - b ]呋喃，2-苯基-4-（对甲氧基苯基）硒代苯并[3,4- b ]呋喃，4-芳基-1 H-- 1-苯基噻吩并[3 ，4- ç ]吡唑和5-苄基-2-苯基吡咯并[3,4- d以高收率制备噻唑]。

  DOI：

  10.1002/jhet.5570350114

文献信息

• [EN] BENZOIC ACID DERIVATIVES AS MODULATORS OF PPAR ALPHA AND GAMMA<br/>[FR] DERIVES D'ACIDE BENZOIQUE UTILISES EN TANT QUE MODULATEURS DE PPAR ALPHA AND GAMMA
  申请人：ASTRAZENECA AB

  公开号：WO2004000295A1

  公开（公告）日：2003-12-31

  A compound of formula (I) wherein R1 represents aryl optionally substituted by a heterocyclic group or a heterocyclic group optionally substituted by aryl wherein each aryl or heterocyclic group is optionally substituted; the group -(CH2)m-T-(CH2)n-U-(CH2)p- is attached at either the 3 or 4 position in the phenyl ring as indicated by the numbers in formula (I) and represents a group selected from one or more of the following: O(CH2)2, O(CH2)3, NC(O)NR4(CH2)2 , CH2S(O2)NR5(CH2)2, CH2N(R6)C(O)CH2, (CH2)2N(R6)C(O)(CH2)2 , C(O)NR7 CH2 , C(O)NR7(CH2 )2 , and CH2N(R6)C(O)CH2O; V represents O, S, NR8, or a single bond;q represents 1, 2 or 3 ; W represents O, S, N(R9)C(O) , NR10,or a single bond;R2 represents halo, a C 1-4 alkyl group which is optionally substituted by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, CN or NO2 ; r represents 0, 1, 2 or 3 ; R3 represents halo, a C 1-4 alkyl group which is optionally substituted by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, or CN ; s represents 0, 1, 2 or 3 ; and R4, R5, R6 , R7, R8 , R9 and R10 independently represent H, a C 1-10 alkyl group, aryl or an aryl C 1-4 alkyl group or when m is 0 and T represents a group N(R6)C(O) or a group (R5)NS(O2) then R1 and R6 or R1 and R5 together with the nitrogen atom to which they are attached represent a heteroaryl group; with provisos and pharmaceutically acceptable salts thereof, processes for preparing such compounds, their utility in treating clinical conditions associated with insulin resistance, methods for their therapeutic use and pharmaceutical compositions containing them.

  式（I）的化合物，其中R1代表芳基，可选地被杂环基取代，或者被芳基取代的杂环基，其中每个芳基或杂环基可选地被取代；在苯环中的3位或4位之一连接有组-(CH2)m-T-(CH2)n-U-(CH2)p-，如式（I）中的数字所示，并表示从以下一个或多个中选择的组：O(CH2)2，O(CH2)3，NC(O)NR4(CH2)2，CH2S(O2)NR5(CH2)2，CH2N(R6)C(O)CH2，(CH2)2N(R6)C(O)(CH2)2，C(O)NR7CH2，C(O)NR7(CH2)2和CH2N(R6)C(O)CH2O；V代表O，S，NR8或单键；q代表1、2或3；W代表O，S，N(R9)C(O)，NR10或单键；R2代表卤素，可选地被一个或多个氟取代的C1-4烷基，可选地被一个或多个氟取代的C1-4烷氧基，C1-4酰基，芳基，芳基C1-4烷基，CN或NO2；r代表0、1、2或3；R3代表卤素，可选地被一个或多个氟取代的C1-4烷基，可选地被一个或多个氟取代的C1-4烷氧基，C1-4酰基，芳基，芳基C1-4烷基或CN；s代表0、1、2或3；R4、R5、R6、R7、R8、R9和R10独立地代表H，C1-10烷基，芳基或芳基C1-4烷基，或者当m为0且T代表N(R6)C(O)或(R5)NS(O2)时，R1和R6或R1和R5与它们连接的氮原子一起代表杂芳基；以及其药学上可接受的盐，制备这种化合物的方法，它们在治疗与胰岛素抵抗相关的临床病症中的用途，它们的治疗用途的方法和含有它们的药物组合物。
• SUBSTITUTED FURANS AND THEIR USE
  申请人：Lampe Thomas

  公开号：US20110054017A1

  公开（公告）日：2011-03-03

  The present application relates to novel substituted furan derivatives, to processes for their preparation, to their use for the treatment and/or prophylaxis of diseases and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular diseases.

  本申请涉及新颖的取代呋喃衍生物，涉及它们的制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病药物的用途，特别是用于治疗和/或预防心血管疾病。
• Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands
  申请人：Hendrix A. James

  公开号：US20050107389A1

  公开（公告）日：2005-05-19

  The invention relates to heterocyclic substituted amide derivatives that display selective binding to dopamine D 3 receptors. In another aspect, the invention relates to a method for treating central nervous system disorders associated with the dopamine D 3 receptor activity in a patient in need of such treatment comprising administering to the subject a therapeutically effective amount of said compounds for alleviation of such disorder. The central nervous system disorders that may be treated with these compounds include Psychotic Disorders, Substance Dependence, Substance Abuse, Dyskinetic Disorders (e.g. Parkinson's Disease, Parkinsonism, Neuroleptic-Induced Tardive Dyskinesia, Gilles de la Tourette Syndrome and Huntington's Disease), Dementia, Anxiety Disorders, Sleep Disorders, Circadian Rhythm Disorders and Mood Disorders. The subject invention is also directed towards processes for the preparation of the compounds described herein as well as methods for making and using the compounds as imaging agents for dopamine D 3 receptors.

  本发明涉及杂环取代酰胺衍生物，其表现出对多巴胺D3受体的选择性结合。在另一个方面，本发明涉及一种治疗中枢神经系统疾病的方法，该疾病与多巴胺D3受体活性有关，包括精神病性障碍、物质依赖、物质滥用、运动障碍（例如帕金森病、帕金森综合症、神经阻滞剂引起的迟发性运动障碍、吉尔·德·拉·图雷特综合症和亨廷顿病）、痴呆、焦虑症、睡眠障碍、昼夜节律紊乱和情绪障碍。本发明还涉及制备上述化合物的过程，以及将这些化合物作为多巴胺D3受体成像剂的方法。
• Benzoic acid derivatives as modulators of ppar alpha and gamma
  申请人：Li Lanna

  公开号：US20050267149A1

  公开（公告）日：2005-12-01

  A compound of formula (I) wherein R 1 represents aryl optionally substituted by a heterocyclic group or a heterocyclic group optionally substituted by aryl wherein each aryl or heterocyclic group is optionally substituted; the group —CH 2 ) m -T-(CH 2 ) n —U—(CH 2 ) p — is attached at either the 3 or 4 position in the phenyl ring as indicated by the numbers in formula (I) and represents a group selected from one or more of the following: O(CH 2 ) 2 , O(CH 2 ) 3 , NC(O)NR 4 (CH 2 ) 2 , CH 2 S(O 2 )NR 5 (CH 2 ) 2 , CH 2 N(R 6 )C(O)CH 2 , (CH 2 ) 2 N(R 6 )C(O)(CH 2 ) 2 , C(O)NR 7 CH 2 , C(O)NR 7 (CH 2 ) 2 , and CH 2 N(R 6 )C(O)CH 2 O; V represents O, S, NR 8 , or a single bond; q represents 1, 2, or 3; W represents O, S, N(R 9 )C(O), NR 10 , or a single bond; R 2 represents halo, a C 1-4 alkyl group which is optionally substituted by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, CN or NO 2 ; r represents 0, 1, 2 or 3; R 3 represents halo, a C 1-4 alkyl group which is optionally substutited by one or more fluoro, a C 1-4 alkoxy group which is optionally substituted by one or more fluoro, a C 1-4 acyl group, aryl, an aryl C 1-4 alkyl group, or CN; s represents 0, 1, 2 or 3; and R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 independently represent H, a C 1-10 alkyl group, aryl or an aryl C 1-4 alkyl group or when m is 0 and T represents a group N(R 6 )C(O) or a group (R 5 )NS(O 2 ) then R 1 and R or R 1 and R 5 thogether with the nitrogen atom to which they are attached represent a heteroaryl group; with provisos and pharmaceutically acceptable salts thereof, processes for preparing such compouds, their utility in treating clinical conditions associated with insulin resistance, methods for their therapeutic use and pharmaceutical compositions containing them.

  化合物的式子为(I)，其中R1表示芳基，可选地被杂环基取代，或者是可选地被芳基取代的杂环基，其中每个芳基或杂环基都可以被取代; 在苯环中，基团—CH2)m-T-(CH2)n—U—(CH2)p—以式(I)中的数字所示的3或4位置附着，并表示从以下一种或多种中选择的基团：O(CH2)2、O(CH2)3、NC(O)NR4(CH2)2、CH2S(O2)NR5(CH2)2、CH2N(R6)C(O)CH2、(CH2)2N(R6)C(O)(CH2)2、C(O)NR7CH2、C(O)NR7(CH2)2和CH2N(R6)C(O)CH2O; V表示O、S、NR8或单键; q表示1、2或3; W表示O、S、N(R9)C(O)、NR10或单键; R2表示卤素、可选地被一个或多个氟代取代的C1-4烷基、可选地被一个或多个氟代取代的C1-4烷氧基、C1-4酰基、芳基、芳基C1-4烷基、CN或NO2; r表示0、1、2或3; R3表示卤素、可选地被一个或多个氟代取代的C1-4烷基、可选地被一个或多个氟代取代的C1-4烷氧基、C1-4酰基、芳基、芳基C1-4烷基或CN; s表示0、1、2或3; R4、R5、R6、R7、R8、R9和R10独立地表示H、C1-10烷基、芳基或芳基C1-4烷基，或者当m为0且T表示一个基团N(R6)C(O)或一个基团(R5)NS(O2)时，R1和R或R1和R5与它们附着的氮原子一起表示杂芳基; 具有附加条件和药学上可接受的盐，制备这种化合物的过程，它们在治疗与胰岛素抵抗相关的临床病症方面的用途，它们的治疗用途的方法以及包含它们的制药组合物。
• Benzoic acid derivatives as modulators of PPAR alpha and gamma
  申请人：AstraZeneca AB

  公开号：US07521461B2

  公开（公告）日：2009-04-21

  A compound of formula (I) wherein R1 represents aryl optionally substituted by a heterocyclic group or a heterocyclic group optionally substituted by aryl wherein each aryl or heterocyclic group is optionally substituted; the group —(CH2)m-T-(CH2)n—U—(CH2)p— is attached at either the 3 or 4 position in the phenyl ring as indicated by the numbers in formula (I) and represents a group selected from one or more of the following: O(CH2)2, O(CH2)3, NC(O)NR4(CH2)2, CH2S(O2)NR5(CH2)2, CH2N(R6)C(O)CH2, (CH2)2N(R6)C(O)(CH2)2, C(O)NR7CH2, C(O)NR7(CH2)2, and CH2N(R6)C(O)CH2O; V represents O, S, NR8 or a single bond; q represents 1, 2, or 3; W represents O, S, N(R9)C(O), NR10, or a single bond; R2 represents halo, a C1-4 alkyl group which is optionally substituted by one or more fluoro, a C1-4 alkoxy group which is optionally substituted by one or more fluoro, a C1-4 acyl group, aryl, an aryl C1-4 alkyl group, CN or NO2; r represents 0, 1, 2 or 3; R3 halo, a C1-4 alkyl group which is optionally substutited by one or more fluoro, a C1-4 alkoxy group which is optionally substituted by one or more fluoro, a C1-4 acyl group, aryl, an aryl C1-4 alkyl group, or CN; s represents 0, 1, 2 or 3; and R4, R5, R6, R7, R8, R9, and R10 independently represent H, a C1-10 alkyl group, aryl or an aryl C1-4 alkyl group or when m is O and T represents a group N(R6)C(O) or a group (R5)NS(O2) then R1 and R6 or R1 and R5 together with the nitrogen atom to which they are attached represent a heteroaryl group; with provisos and pharmaceutically acceptable salts thereof, processes for preparing such compounds, their utility in treating clinical conditions associated with insulin resistance, methods for their therapeutic use and pharmaceutical compositions containing them.

  化合物的式子(I)，其中R1代表取代了杂环基团或者取代了芳香基团的杂环基团，其中每个芳香基团或杂环基团都可以被取代；在苯环中，根据式子(I)中的数字，-（CH2）m-T-（CH2）n-U-（CH2）p-基团连接在3号或4号位置，表示从以下一种或多种基团中选择：O（CH2）2，O（CH2）3，NC（O）NR4（CH2）2，CH2S（O2）NR5（CH2）2，CH2N（R6）C（O）CH2，（CH2）2N（R6）C（O）（CH2）2，C（O）NR7CH2，C（O）NR7（CH2）2和CH2N（R6）C（O）CH2O；V代表O、S、NR8或单键；q代表1、2或3；W代表O、S、N（R9）C（O）、NR10或单键；R2代表卤素、C1-4烷基，其可以被一个或多个氟代取代，C1-4烷氧基，其可以被一个或多个氟代取代，C1-4酰基，芳香基团，芳香基团C1-4烷基，CN或NO2；r代表0、1、2或3；R3代表卤素、C1-4烷基，其可以被一个或多个氟代取代，C1-4烷氧基，其可以被一个或多个氟代取代，C1-4酰基，芳香基团，芳香基团C1-4烷基或CN；s代表0、1、2或3；R4、R5、R6、R7、R8、R9和R10独立地代表H、C1-10烷基，芳香基团或芳香基团C1-4烷基，或当m为O且T代表N（R6）C（O）或（R5）NS（O2）基团时，R1和R6或R1和R5与它们连接的氮原子一起表示杂芳基团；以及其药学可接受的盐、制备这样的化合物的方法，它们在治疗与胰岛素抵抗相关的临床病症方面的用途，它们的治疗用途的方法以及包含它们的制药组合物。