1-羟基环丙羧酸乙酯 | 137682-89-4

• 物质功能分类: 化学试剂 - 有机试剂 - 酯类
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1-羟基环丙羧酸乙酯
• 英文名称: ethyl 1-hydroxycyclopropanecarboxylate
• 英文别名: ethyl 1-hydroxycyclopropane-1-carboxylate；ethyl 1-hydroxy-1-cyclopropanecarboxylate
• CAS: 137682-89-4
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: DPMGQZGXWRHYPE-UHFFFAOYSA-N

物化性质

• 沸点：
  78°C/15mmHg
• 密度：
  1.1557 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	Ethyl 1-Hydroxycyclopropanecarboxylate Material Safety Data Sheet
Synonym:	None Known
CAS:	137682-89-4

Section 1 - Chemical Product MSDS Name:Ethyl 1-Hydroxycyclopropanecarboxylate Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
137682-89-4	Ethyl 1-Hydroxycyclopropanecarboxylate	90%	unlisted

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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
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. Wash mouth out with 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. 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# 137682-89-4: 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: Clear liquid
Color: light yellow to brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 78 deg C @15 mmHg
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: C3H4(OH)COOCH2CH3
Molecular Weight: 130.0682

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 137682-89-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 1-Hydroxycyclopropanecarboxylate - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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.
WGK (Water Danger/Protection)
CAS# 137682-89-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 137682-89-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 137682-89-4 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-羟基环丙羧酸乙酯 在 potassium osmate(VI) dihydrate 、 sodium periodate 、 sodium hydride 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 ethyl 1-(2-oxopropoxy)cyclopropane-1-carboxylate
  参考文献：
  名称：

  [EN] CERTAIN CHEMICAL COMPOSITIONS AND METHODS OF USE THEREOF
  [FR] COMPOSITIONS CHIMIQUES PARTICULIÈRES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本公开提供了CDK9抑制剂。还提供了治疗疾病或紊乱的方法，包括向需要治疗的受试者施用本公开的CDK9抑制剂之一。在某些实施例中，要治疗的疾病或紊乱是癌症。在某些实施例中，疾病或紊乱是肝癌。

  公开号：

  WO2021231892A1
• 作为产物：
  描述：

  乙醇 、 1-羟基环丙烷羧酸 在 氯化亚砜 作用下， 生成 1-羟基环丙羧酸乙酯
  参考文献：
  名称：

  [EN] INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF
  [FR] INHIBITEURS DE CYSTÉINE PROTÉASES ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本公开提供了具有腈基弹头的化合物及其在治疗医学疾病或疾病中的应用，例如病毒感染。提供了含有腈基弹头的各种化合物的制药组合物和制备方法。这些化合物被认为能够抑制蛋白酶，例如3C、CL-或3CL样蛋白酶。

  公开号：

  WO2023023631A1

文献信息

• [EN] QUINOLONE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTERIENS A BASE DE QUINOLONE
  申请人：WARNER LAMBERT CO

  公开号：WO2005026165A1

  公开（公告）日：2005-03-24

  Compounds of formula I and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications including use as antibacterial agents.

  公开了式I的化合物及其制备方法。进一步公开了制备式I生物活性化合物的方法，以及包括式I化合物的药用可接受组合物。本文公开的式I化合物可用于各种应用，包括用作抗菌剂。
• 苯二氮卓类化合物及其制备方法和在医药上 的作用
  申请人：四川大学华西医院

  公开号：CN112142746B

  公开（公告）日：2021-09-24

  本发明提供了苯二氮卓类化合物及其制备方法和在医药上的作用，属于化学医药领域。该苯二氮卓类化合物是式I所示的化合物、或其盐、或其立体异构体、或其溶剂合物、或其共晶、或其组合物。本发明化合物的静脉镇静麻醉效果佳，其麻醉效果与瑞马唑仑相当，甚至优于瑞马唑仑，具体表现在有效剂量显著降低、持续时间和恢复时间显著减少。同时在大、小鼠尾静脉麻醉模型中，本发明化合物相比瑞马唑仑苏醒质量得到显著提高。本发明化合物麻醉时起效快、持续时间短、苏醒快、耐受性良好，可用于麻醉诱导、麻醉维持和日间手术麻醉，具有良好的应用前景。
• [EN] AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS<br/>[FR] AZABENZIMIDAZOLES ET LEUR UTILISATION EN TANT QUE MODULATEURS DES RÉCEPTEURS AMPA
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2016176460A1

  公开（公告）日：2016-11-03

  Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, [formula (I) should be inserted here]. Also provided herein are pharmaceutical compositions comprising compounds of Formula (I) and methods of using compounds of Formula (I).

  本文件提供了公式(I)的化合物，以及药学上可接受的盐、N-氧化物或溶剂化物[此处应插入公式(I)]。此外，还提供了包含公式(I)化合物的药物组合物以及使用公式(I)化合物的方法。
• [EN] COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ET MÉTHODES
  申请人：TEMPERO PHARMACEUTICALS INC

  公开号：WO2013019682A1

  公开（公告）日：2013-02-07

  The present invention relates to novel retinoid-related orphan receptor gamma (RORγ) modulators and their use in the treatment of diseases mediated by RORy.

  本发明涉及新型视黄醛酸相关孤儿受体γ（RORγ）调节剂及其在治疗由RORγ介导的疾病中的应用。
• [EN] FACTOR XIa INHIBITORS<br/>[FR] INHIBITEURS DU FACTEUR XIA
  申请人：MERCK SHARP & DOHME

  公开号：WO2015164308A1

  公开（公告）日：2015-10-29

  The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma kallikrein.

  本发明提供了一种化合物(I)及包含一种或多种所述化合物的药物组合物，以及使用所述化合物用于治疗或预防血栓、栓塞、高凝血性或纤维变化的方法。这些化合物是选择性因子XIa抑制剂或因子XIa和血浆激肽原的双重抑制剂。