1-(4-氯苯基)-1-环丙烷羧酸 | 72934-37-3

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-氯苯基)-1-环丙烷羧酸
• 中文别名: 1-(4-氯苯基)-1-环丙烷甲酸；1-(4-氯苯基)环丙烷羧酸；1-(4-氯苯基)-1-环丙甲酸
• 英文名称: 3-(4-chlorophenyl)-1-cyclopropanecarboxylic acid
• 英文别名: 1-(p-chlorophenyl)cyclopropanecarboxylic acid；1-(4-chlorophenyl)cyclopropanecarboxylic acid；1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
• CAS: 72934-37-3
• 化学式: C₁₀H₉ClO₂
• mdl: MFCD00001289
• 分子量: 196.633
• InChiKey: YAHLWSGIQJATGG-UHFFFAOYSA-N

物化性质

• 熔点：
  152-155 °C
• 沸点：
  152-155°C
• 密度：
  1.2040 (rough estimate)
• 溶解度：
  溶于甲醇
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2916399090
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H315,H319
• 储存条件：
  存放在密封容器内，并置于阴凉、干燥处。请确保储存位置远离氧化剂。

SDS

Name:	1-(4-Chlorophenyl)-1-Cyclopropane- Carboxylic Acid 99% Material Safety Data Sheet
Synonym:	None Known
CAS:	72934-37-3

Section 1 - Chemical Product MSDS Name:1-(4-Chlorophenyl)-1-Cyclopropane- Carboxylic Acid 99% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
72934-37-3	1-(4-Chlorophenyl)-1-Cyclopropane- Car	99%	277-105-5

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 72934-37-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 150.00 - 152.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H9ClO2
Molecular Weight: 196.63

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 72934-37-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Chlorophenyl)-1-Cyclopropane- Carboxylic Acid - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 72934-37-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 72934-37-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 72934-37-3 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：

  1-(4-氯苯基)-1-环丙烷羧酸 在 N-甲基吗啉 、 三氯氧磷 、 氯甲酸异丁酯 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 8-bromo-3-(1-(4-chlorophenyl)cyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine
  参考文献：
  名称：

  用于人类 ADME 临床研究的 [14C]BMS-823778 和 [13CD313CD2]BMT-094817（一种新检测到的人类代谢物的稳定同位素标记标准品）的合成

  摘要：

  2 型糖尿病是一个重要的全球健康问题。为了支持 BMS-823778 作为 11β-羟基类固醇脱氢酶 1 抑制剂的开发，用于治疗 2 型糖尿病，需要合成碳 14 标记的材料以用于人体吸附、分布、代谢和排泄 (ADME)学习。[(14) C] BMS-823778 的 HCl 盐形式是从市售的 [2-(14) C] 丙酮中分两步合成的。用未标记的临床级 BMS-823778 稀释后合成的 [(14) C]BMS-823778 的放射化学纯度为 99.5%，比活为 7.379 μCi/mg。人类 ADME 研究的一个结果是检测到一种新的人类代谢物 BMT-094817。为支持临床样本中 BMT-094817 的定量，有必要合成 [(13) CD3 (13) CD2 ]BMT-094817 用作液相色谱/质谱标准。[(13) CD3 (13) CD2 ]BMT-094817 由 [(13) CD3

  DOI：

  10.1002/jlcr.3383
• 作为产物：
  描述：

  对氯苯乙腈 在 sodium hydride 、 lithium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 36.25h， 生成 1-(4-氯苯基)-1-环丙烷羧酸
  参考文献：
  名称：

  Lewis碱性硫族化物催化剂对环丙基二酯的亲电溴化反应

  摘要：

  已经开发了使用三苯基膦硫化物（Ph 3 PS）或二苯基硒化物（Ph 2 Se）作为路易斯碱性硫族化物催化剂的环丙基甲基二酯的高效且区域选择性的亲电子溴化反应。据观察，博士3 PS利于形成抗非对映体，并产生多功能γ内酯。有趣的是，当使用Ph 2 Se作为催化剂时，非对映选择性被逆转，其中偏爱合成产物而不是反产物。

  DOI：

  10.1002/adsc.201800886
• 作为试剂：
  描述：

  1-(4-氯苯基)-1-环丙烷羧酸 、 (3-溴-2-吡啶)-肼 在 1-(4-氯苯基)-1-环丙烷羧酸 作用下， 以63的产率得到N'-(3-bromopyridin-2-yl)-1-(4-chlorophenyl)cyclopropanecarbohydrazide
  参考文献：
  名称：

  ACS Medicinal Chemistry Letters. 2018, 9, 1170-1174

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Substituted alkyl amido piperidines
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US20040186103A1

  公开（公告）日：2004-09-23

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  这项发明涉及选择性拮抗黑色素浓缩激素-1（MCH1）受体的化合物。该发明提供了一种包括该发明化合物的治疗有效量和药学上可接受的载体的药物组合物。该发明提供了一种由结合本发明化合物的治疗有效量和药学上可接受的载体制成的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合本发明化合物的治疗有效量和药学上可接受的载体。该发明还提供了一种减少受试者体重的方法，包括向受试者施用本发明化合物的有效量以减少受试者的体重。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。
• 苯并咪唑类衍生物及其药学用途
  申请人：上海美悦生物科技发展有限公司

  公开号：CN110343089A

  公开（公告）日：2019-10-18

  本发明公开了一种苯并咪唑类衍生物及其药学用途，特别是公开了一种如式I所示的苯并咪唑类衍生物及其在制备治疗和/或预防血栓形成或血栓栓塞病症的药物中的用途。
• [EN] C-3 NOVEL TRITERPENONE WITH C-28 UREA DERIVATIVES AS HIV INHIBITORS<br/>[FR] NOUVELLE TRITERPÉNONE EN C-3 AVEC DES DÉRIVÉS D'URÉE EN C-28 EN TANT QU'INHIBITEURS DE VIH
  申请人：HETERO RESEARCH FOUNDATION

  公开号：WO2017064628A1

  公开（公告）日：2017-04-20

  The present invention relates to C-3 novel triterpenone with C-28 urea derivatives of formula (I); or pharmaceutically acceptable salts, pharmaceutically acceptable solvates, pharmaceutically acceptable hydrates, tautomers, stereoisomers, prodrugs, compositions or combination thereof, wherein R1, R2, R3, W, J and X are as defined herein. The present invention also relates to pharmaceutical compositions comprising compounds of formula (I) useful for the treatment of viral diseases and particularly HIV mediated diseases.

  本发明涉及具有式(I)的C-28脲衍生物的C-3新型三萜酮；或药学上可接受的盐、药学上可接受的溶剂化合物、药学上可接受的水合物、互变异构体、立体异构体、前药、组合物或其组合，其中R1、R2、R3、W、J和X如本文所定义。本发明还涉及包含式(I)化合物的药物组合物，用于治疗病毒性疾病，特别是HIV介导的疾病。

表征谱图