环丙烷-1,2-二羧酸二乙酯 | 20561-09-5

• 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: 环丙烷-1,2-二羧酸二乙酯
• 英文名称: diethyl 1,2-cyclopropanedicarboxylate
• 英文别名: diethyl (cis,trans)-1,2-cyclopropanedicarboxylate；diethyl cyclopropane-1,2-dicarboxylate
• CAS: 20561-09-5
• 化学式: C₉H₁₄O₄
• mdl: MFCD00001286
• 分子量: 186.208
• InChiKey: SXLDHZFJMXLFJU-UHFFFAOYSA-N

物化性质

• 沸点：
  70-75 °C (1 mmHg)
• 密度：
  1.06
• 闪点：
  98 °C

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.777
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2917209090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  储存条件：2-8°C，干燥密封。

SDS

Name:	Diethyl 1 2-Cyclopropanedicarboxylate 97% Material Safety Data Sheet
Synonym:	None known
CAS:	20561-09-5

Section 1 - Chemical Product MSDS Name:Diethyl 1 2-Cyclopropanedicarboxylate 97% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
20561-09-5	Diethyl 1,2-Cyclopropanedicarboxylate	97	243-878-2

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. Vapors may cause dizziness or suffocation.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
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. Remove all sources of ignition. 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. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation.
Storage:
Keep away from heat, sparks, and flame. 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# 20561-09-5: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 70.0 - 75.0 deg C @ 1.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 98 deg C ( 208.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0610g/cm3
Molecular Formula: C9H14O4
Molecular Weight: 186.21

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
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# 20561-09-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diethyl 1,2-Cyclopropanedicarboxylate - 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# 20561-09-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 20561-09-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20561-09-5 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：

  环丙烷-1,2-二羧酸二乙酯 在 水 、 乙酸酐 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 15.0h， 生成 cis-1,2-cyclopropanedicarboxylic acid
  参考文献：
  名称：

  大规模制备顺式环丙烷二胺二盐酸盐的高效改进方法

  摘要：

  以100克规模开发了一种有效且改进的制备顺式环丙戊二胺二盐酸盐的方法。该方法的关键步骤是通过形成环酸酐，由顺式和反式异构体的混合物制备顺式环丙烷-1，2-二羧酸。整个过程和所有过程都是经济的，工业上可靠的并且易于扩大规模。

  DOI：

  10.2174/1570178612666150907204813
• 作为产物：
  描述：

  戊二酸二乙酯 在 copper(II) bis(trifluoromethanesulfonate) 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 30.0h， 以62%的产率得到环丙烷-1,2-二羧酸二乙酯
  参考文献：
  名称：

  Kobayashi, Yoshiro; Taguchi, Takeo; Morikawa, Tsutomu, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 1, p. 262 - 267

  摘要：

  DOI：

文献信息

• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION EN TANT QU'INHIBITEURS GAMMA-T DU RÉCEPTEUR ORPHELIN APPARENTÉ AUX RÉCEPTEURS DES RÉTINOÏDES (ROR) )
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2016002968A1

  公开（公告）日：2016-01-07

  Provided are heterocyclic compounds having a RORγt inhibitory action represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  提供的是具有RORγt抑制作用的杂环化合物，其由公式(I)表示：其中每个符号如说明书中定义，或其盐。
• Chemokine receptor binding heterocyclic compounds with enhanced efficacy
  申请人：——

  公开号：US20030220341A1

  公开（公告）日：2003-11-27

  The invention relates to heterocyclic compounds consisting of a core nitrogen atom surrounded by three pendant groups, wherein two of the three pendant groups are preferably benzimidazolyl methyl and tetrahydroquinolyl, and the third pendant group contains N and optionally contains additional rings. The compounds bind to chemokine receptors, including CXCR4 and CCR5, and demonstrate protective effects against infection of target cells by a human immunodeficiency virus (HIV).

  这项发明涉及由一个核心氮原子环绕着三个侧链基团的杂环化合物，其中三个侧链基团中的两个最好是苯并咪唑甲基和四氢喹啉基，第三个侧链基团含有N，并且可选地含有额外的环。这些化合物与趋化因子受体结合，包括CXCR4和CCR5，并且表现出对人类免疫缺陷病毒（HIV）感染靶细胞的保护作用。
• Imide derivatives, and their production and use
  申请人：Sumitomo Pharmaceuticals Company, Ltd.

  公开号：US05532372A1

  公开（公告）日：1996-07-02

  An imide compound of the formula: ##STR1## wherein Z is a group of the formula: ##STR2## in which the substituents are defined herein, and n is an integer of 0 to 1; D is a group of the formula: --(CH.sub.2).sub.p --A--(CH.sub.2).sub.q -- in which A is a non-aromatic hydrocarbon ring optionally bridged with a lower alkylene group or an oxygen atom, said non-aromatic hydrocarbon ring and said lower alkylene group being each optionally substituted with at least one lower alkyl, and p and q are each an integer of 0, 1 or 2; and Ar is an aromatic group, a heterocyclic aromatic group, a benzoyl group, a phenoxy group or a phenylthio group and G is >N--, >CH-- or >COH-- or Ar is a biphenylmethylidene group and G is >C.dbd., all of the above groups being each optionally substituted with at least one of lower alkyl, lower alkoxy and halogen; and its acid addition salts, useful as an antipsycotic agent.

  公式为：##STR1## 其中 Z 是一个具有以下结构的基团：##STR2## 在其中，取代基在此处定义，n 是 0 到 1 的整数；D 是一个具有以下结构的基团：--(CH.sub.2).sub.p --A--(CH.sub.2).sub.q -- 其中 A 是一个非芳香烃环，可选择地与较低的烷基链或氧原子桥接，所述非芳香烃环和所述较低的烷基链各自可选择地取代至少一个较低的烷基，p 和 q 各自是 0、1 或 2 的整数；Ar 是一个芳香基团，一个杂环芳香基团，一个苯甲酰基团，一个苯氧基团或一个苯硫基团，G 是 >N--，>CH-- 或 >COH-- 或 Ar 是一个联苯甲基亚基团，G 是 >C.dbd.，上述所有基团均可选择地取代至少一个较低烷基、较低烷氧基和卤素；以及其酸盐，作为抗精神病药物。
• [EN] HETEROCYCLIC INHIBITORS OF GLUTAMINASE<br/>[FR] INHIBITEURS HÉTÉROCYCLIQUES DE GLUTAMINASE
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2013078123A1

  公开（公告）日：2013-05-30

  The invention relates to the heterocyclic compounds of Formula (I) as defined further herein, and pharmaceutical preparations thereof. The invention further relates to methods of treating cancer, immunological or neurological diseases using the heterocyclic compounds of the invention.

  本发明涉及式(I)定义的杂环化合物及其药物制剂。本发明进一步涉及使用本发明的杂环化合物治疗癌症、免疫性或神经疾病的方法。
• Halothenoyl-cyclopropane-1-carboxylic acid derivatives
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1424333A1

  公开（公告）日：2004-06-02

  Compounds of formula (I) wherein R is hydroxy, linear or branched C1-C6 alkoxy, phenoxy, benzyloxy, a group -N(R1R2) wherein R1 is hydrogen, linear or branched C1-C4 alkyl, benzyl, phenyl and R2 is hydrogen or linear or branched C1-C4 alkyl, or R is a glycoside residue or a primary alkoxy residue from ascorbic acid, optionally having one or more hydroxy groups alkylated or acylated by linear or branched C1-C4 alkyl or acyl groups; X is a halogen atom and n 1 or 2 are long lasting inhibitors of kynurenine 3-monooxygenase (KMO) and potent glutamate (GLU) release inhibitors.

  公式(I)的化合物 其中 R是羟基，线性或支链C1-C6烷氧基，苯氧基，苄氧基，-N(R1R2)基团，其中R1是氢，线性或支链C1-C4烷基，苄基，苯基，R2是氢或线性或支链C1-C4烷基，或者R是糖苷残基或来自抗坏血酸的初级烷氧基残基，可以选择性地有一个或多个被线性或支链C1-C4烷基或酰基烷基化或酰化的羟基； X是卤素原子，n为1或2，是持久的犬尿氨酸3-单加氧酶(KMO)抑制剂和强效的谷氨酸(GLU)释放抑制剂。

表征谱图