2,3-二氢-1-苯并呋喃-7-碳酰氯 | 123266-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 中文名称: 2,3-二氢-1-苯并呋喃-7-碳酰氯
• 中文别名: 2,3-二氢苯并呋喃-7-碳酰氯；2,3-二氢-1-苯并呋喃-7-羰酰氯
• 英文名称: 2,3-dihydro-7-benzofurancarbonyl chloride
• 英文别名: 2,3-Dihydro-7-benzofurancarboxylic acid chloride；2,3-dihydrobenzofuran-7-formyl chloride；2,3-dihydrobenzo[b]furan-7-oyl chloride；2,3-dihydrobenzofuran-7-carbonyl chloride；2,3-Dihydro-1-benzofuran-7-carbonyl chloride
• CAS: 123266-63-7
• 化学式: C₉H₇ClO₂
• mdl: MFCD06658967
• 分子量: 182.606
• InChiKey: KNBGUBMIJPZGHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

SDS

Name:	2 3-Dihydro-1-benzofuran-7-carbonyl chloride Material Safety Data Sheet
Synonym:
CAS:	123266-63-7

Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1-benzofuran-7-carbonyl chloride Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
123266-63-7	2,3-Dihydro-1-benzofuran-7-carbonyl ch	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 14 29 35

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Contact with water liberates toxic gas.
Causes severe burns.
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.
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.

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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# 123266-63-7: 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: Not available.
Freezing/Melting Point: 55 - 60 deg C
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: C9H7ClO2
Molecular Weight: 182.61

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, water, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 123266-63-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-1-benzofuran-7-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, WATER REACTIVE, N.O.S.*
Hazard Class: 8
UN Number: 3096
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, WATER REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, WATER REACTIVE, N.O.S.
Hazard Class: 8
UN Number: 3096
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 29 Contact with water liberates toxic gas.
R 35 Causes severe burns.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 30 Never add water to this product.
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# 123266-63-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 123266-63-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 123266-63-7 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,3-二氢-1-苯并呋喃-7-碳酰氯 在 乙醇 、 硫酸 、 盐酸羟胺 、 双氧水 、 铁粉 、 potassium carbonate 、 potassium nitrate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 9.5h， 生成 5-((7-(benzyloxy)-2,3-dihydrobenzofuran-5-ylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  血管内皮生长因子受体抑制剂及其制备方法和应用

  摘要：

  本发明提供一种血管内皮生长因子受体抑制剂及其制备方法和应用，涉及具有式(I)结构的喹啉或喹唑啉衍生物、含有式(I)化合物的药物组合物及所述化合物在制备预防或治疗血管生成相关疾病的药物的用途，特别是用于预防或治疗与蛋白质酪氨酸激酶相关的肿瘤。其中式(I)中的各取代基与说明书中的定义相同。

  公开号：

  CN112010864B
• 作为产物：
  描述：

  2,3-二氢苯并呋喃 在 正丁基锂 、 氯化亚砜 、 四甲基乙二胺 作用下， 以 环己烷 为溶剂， 反应 3.0h， 生成 2,3-二氢-1-苯并呋喃-7-碳酰氯
  参考文献：
  名称：

  Voelter, Wolfgang; El-Abadelah, Mustafa M.; Sabri, Salim S., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1999, vol. 54, # 11, p. 1469 - 1473

  摘要：

  DOI：

文献信息

• [EN] DISUBSTITUTED OCTAHY-DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS<br/>[FR] OCTAHYDROPYRROLO [3,4-C] PYRROLES DISUBSTITUÉS UTILISÉS COMME MODULATEURS DU RÉCEPTEUR DE L'OREXINE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2012145581A1

  公开（公告）日：2012-10-26

  Disubstituted octahydropyrrolo[3,4-c]pyrrole compounds are described, which are useful as orexin receptor modulators. Such compounds may be useful in pharmaceutical compositions and methods for the treatment of diseased states, disorders, and conditions mediated by orexin activity, such as insomnia.

  描述了二取代的八氢吡咯[3,4-c]吡咯化合物，这些化合物可用作促进睡眠素受体的调节剂。这些化合物可能在药物组合物和治疗由促进睡眠素活性介导的疾病状态、紊乱和病况的方法中有用，比如失眠。
• NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF
  申请人：Florjancic S. Alan

  公开号：US20080058335A1

  公开（公告）日：2008-03-06

  The present invention relates to compounds of formula (I), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1 , R 2 , R 3 , and L 1 are defined in the specfication, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions. The present invention also relates to compounds of formula (II), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, wherein R 1a , R 2a and (Rx)n are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式(I)的化合物，或药用盐、前药、前药的盐或其组合物， 其中R 1 ，R 2 ，R 3 和L 1 在规范中定义，包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。本发明还涉及式(II)的化合物，或药用盐、前药、前药的盐或其组合物， 其中R 1a ，R 2a 和(Rx)n如规范中定义，包含这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Zatosetron, a potent, selective, and long-acting 5HT3 receptor antagonist: synthesis and structure-activity relationships
  作者：David W. Robertson、William B. Lacefield、William Bloomquist、William Pfeifer、Richard L. Simon、Marlene L. Cohen

  DOI：10.1021/jm00080a016

  日期：1992.1

  5HT3 receptor antagonist identified via extensive SAR studies was endo-5-chloro-2,3-dihydro-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oc t- 3-yl)-7-benzofurancarboxamide (Z)-2-butenedioate (zatosetron maleate). The 7-carbamyl regiochemistry, dimethyl substitution, chloro substituent, and endo stereochemistry were all crucial elements of the SAR. Zatosetron maleate was a potent antagonist of 5HT-induced

  5HT3受体拮抗剂在临床上可有效治疗与某些溶瘤药物（包括顺铂）相关的恶心和呕吐。此外，这些药物可用于几种中枢神经系统疾病的药理管理，包括焦虑症，精神分裂症，痴呆症和药物滥用。我们对芳酰基环戊酰胺的研究导致发现二氢苯并呋喃基酯和酰胺是有效的5HT3受体拮抗剂。通过对麻醉大鼠静脉注射5-羟色胺（5HT）产生的心动过缓的阻滞判断，Tropine和3α-aminotropane的简单苯甲酰基衍生物具有较弱的5HT3受体拮抗剂活性。在这个系列中，使用苯并呋喃-7-羧酰胺作为芳酰基部分导致5HT3受体亲和力的显着提高。通过广泛的SAR研究确定的最佳5HT3受体拮抗剂是5-氯-2,3-二氢-2,2-二甲基-N-（8-甲基-8-氮杂双环[3.2.1] oc t-3-yl ）-7-苯并呋喃甲酰胺（Z）-2-butenedioate（马来酸zatosetron）。7-氨基甲酰基区域化学，二甲基取代，氯取代基和
• [EN] NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSÉS EN TANT QUE LIGANDS DE RÉCEPTEUR DE CANNABINOÏDE ET LEURS UTILISATIONS
  申请人：ABBOTT LAB

  公开号：WO2009067613A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds of formula (I), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, formula (I). wherein R1, R2, R3, R4, and L1 are defined in the specfication, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions. The present invention also relates to compounds of formula (II), or pharmaceutical salts, prodrugs, salts of prodrugs, or combinations thereof, formula (II). wherein R1a, R2a, Rx, and n are as defined in the specification, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本发明涉及式(I)的化合物，或药用盐、前药、前药的盐或其组合物，式(I)。其中R1、R2、R3、R4和L1在规范中定义，包括含有这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。本发明还涉及式(II)的化合物，或药用盐、前药、前药的盐或其组合物，式(II)。其中R1a、R2a、Rx和n如规范中定义，包括含有这种化合物的组合物，以及使用这种化合物和组合物治疗疾病和疾病的方法。
• Quaternary ammonium compounds as tachykinin antagonists
  申请人：Pfizer INC

  公开号：US06207678B1

  公开（公告）日：2001-03-27

  The present invention provides a compound of formula (I) wherein R is phenyl, C3-C7 cycloalkyl or heteroaryl, each of which being optionally benzo- or C3-C7 cycloalkyl-fused and optionally substituted, including in the benzo- or C3-C7 cycloalkyl-fused portion, by from 1 to 3 substituents each independently selected from C1-C4 alkyl, fluoro(C1-C4)alkyl, C1-C4 alkoxy, fluoro(C1-C4)alkoxy, phenoxy, C2-C4 alkanoyl, halo, C1-C4 alkoxycarbonyl, C3-C7 cycloalkyl, —S(O)m(C1-C4 alkyl), cyano, —NR2R3, —S(O)mNR2R3, —NR4(C1-C4 alkanoyl) and —CONR2R3, or R is 2,3-dihydrobenzo[b]furanyl or chromanyl; R1 is H or C1-C6 alkyl; W is a direct link, methylene or ethylene; X is unbranched C2-C4 alkylene; Y is phenyl, naphthyl, benzyl, pyridyl, thienyl or C3-C7 cycloalkyl, each of which being optionally substituted by from 1 to 3 substituents each independently selected from C1-C4 alkyl, fluoro(C1-C4)alkyl, C1-C4 alkoxy, fluoro(C1-C4)alkoxy, halo and cyano; Ar is phenyl, naphthyl, benzyl, thienyl, benzo[b]thienyl or indolyl, each of which being optionally substituted by from 1 to 3 substituents each independently selected from C1-C4 alkyl, fluoro(C1-C4)alkyl, C1-C4 alkoxy, fluoro(C1-C4)alkoxy, halo and cyano, or Ar is 1,3-benzodioxolan-4 or 5-yl or 1,4-benzodioxan-5 or 6-yl; ZA is a pharmaceutically acceptable anion; with the proviso that when W is a direct link and R is optionally fused and optionally substituted heteroaryl, said heteroaryl is linked by a ring carbon atom to the carbonyl group. The compounds are tachykinin antagonists.

  本发明提供了一种具有化学式(I)的化合物，其中R为苯基、C3-C7环烷基或杂环芳基，每种基团均可选择性地与苯基或C3-C7环烷基融合，并可选择性地被从1到3个取代基取代，每个取代基独立地选自C1-C4烷基、氟代(C1-C4)烷基、C1-C4烷氧基、氟代(C1-C4)烷氧基、苯氧基、C2-C4烷酰基、卤素、C1-C4烷氧羰基、C3-C7环烷基、—S(O)m(C1-C4烷基)、氰基、—NR2R3、—S(O)mNR2R3、—NR4(C1-C4烷酰基)和—CONR2R3，或者R为2,3-二氢苯并[b]呋喃基或色基；R1为H或C1-C6烷基；W为直链、亚甲基或乙烯基；X为直链C2-C4烷基；Y为苯基、萘基、苄基、吡啶基、噻吩基或C3-C7环烷基，每个基团均可选择性地被从1到3个取代基取代，每个取代基独立地选自C1-C4烷基、氟代(C1-C4)烷基、C1-C4烷氧基、氟代(C1-C4)烷氧基、卤素和氰基；Ar为苯基、萘基、苄基、噻吩基、苯并[b]噻吩基或吲哚基，每个基团均可选择性地被从1到3个取代基取代，每个取代基独立地选自C1-C4烷基、氟代(C1-C4)烷基、C1-C4烷氧基、氟代(C1-C4)烷氧基、卤素和氰基，或者Ar为1,3-苯并二氧杜嗪-4或5-基或1,4-苯并二氧杜嗪-5或6-基；ZA为药用可接受的阴离子；但要求当W为直链且R为可选择地融合和可选择地取代的杂环芳基时，所述杂环芳基通过一个环碳原子与酰基团相连。这些化合物是Tachykinin拮抗剂。