乙基 (2S,3S)-2,3-环氧树脂-3-甲基丙烷酸酯 | 110508-08-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 中文名称: 乙基 (2S,3S)-2,3-环氧树脂-3-甲基丙烷酸酯
• 中文别名: 乙基(2S,3S)-2,3-环氧树脂-3-甲基丙烷酸酯
• 英文名称: ethyl (2S,3S)-3-methyloxirane-2-carboxylate
• 英文别名: Ethyl (2S,3S)-2,3-epoxybutanoate
• CAS: 110508-08-2
• 化学式: C₆H₁₀O₃
• 分子量: 130.144
• InChiKey: VYXHEFOZRVPJRK-WHFBIAKZSA-N

物化性质

• 沸点：
  77 °C (20 mmHg)
• 密度：
  1.099±0.06 g/cm3(Predicted)
• 闪点：
  45 °C
• 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)：
  0.6
• 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：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S16
• 危险类别码：
  R22
• 海关编码：
  2918990090

SDS

Name:	Ethyl (2S 3S)-2 3-epoxy-3-methylpropanoate 99% Material Safety Data Sheet
Synonym:	Ethyl (2S,3S)-3-methyl-2-oxiranecarboxylat
CAS:	110508-08-2

Section 1 - Chemical Product MSDS Name:Ethyl (2S 3S)-2 3-epoxy-3-methylpropanoate 99% Material Safety Data Sheet
Synonym:Ethyl (2S,3S)-3-methyl-2-oxiranecarboxylat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
110508-08-2	Ethyl (2S,3S)-2,3-epoxy-3-methylpropan	99	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Use agent most appropriate to extinguish fire.

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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. 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. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 110508-08-2: 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: Clear liquid
Color: colorless
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 77 deg C @ 20.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C6H10O3
Molecular Weight: 130.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Hygroscopic: absorbs moisture or water from the air.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong 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# 110508-08-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl (2S,3S)-2,3-epoxy-3-methylpropanoate - 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.
WGK (Water Danger/Protection)
CAS# 110508-08-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 110508-08-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 110508-08-2 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：

  甲基锂 、 乙基 (2S,3S)-2,3-环氧树脂-3-甲基丙烷酸酯 在 copper(l) iodide 作用下， 生成 2-羟基-3-甲基丁酸乙酯 、 ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
  参考文献：
  名称：

  A Convenient Synthesis of Enantiomerically Pure (2R,3S)- and (2S,3R)-3-Hydroxy-2-methylbutanoic Esters

  摘要：

  两种对映体的赤霉醇或乙基3-羟基-2-甲基丁酸酯是通过锂二甲基铜盐与来源于L-或D-苏氨酸的对映体纯的顺式-2,3-环氧丁酸酯的反应制备的。

  DOI：

  10.1055/s-1988-27629
• 作为产物：
  描述：

  2-氯乙酰乙酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 乙基 (2S,3S)-2,3-环氧树脂-3-甲基丙烷酸酯
  参考文献：
  名称：

  Determination of absolute structure of (−)-oudemansin b

  摘要：

  DOI：

  10.1016/s0040-4039(00)85221-1

文献信息

• INTERMEDIATES AND METHODS FOR THE PREPARATION OF EPOTHILONES
  申请人：Chen Yue

  公开号：US20100267943A1

  公开（公告）日：2010-10-21

  Highly efficient methods are provided for preparing key intermediates in the synthesis of epothilones and use new alane reagents which are broadly applicable and can provide selected components having a variety of substituents groups.

  为合成依柿利烷（epothilones）的关键中间体提供了高效的方法，并使用新的铝烷试剂，这些试剂广泛适用且可以提供具有各种取代基的选定组分。
• Reaction of caesium 4-chlorophenate and chlorohydrins from threonines: synthesis of clofibrate analogues
  作者：Maria Grazia Perrone、Ernesto Santandrea、Leonardo Di Nunno、Antonio Scilimati、Vincenzo Tortorella、Francesco Capitelli、Valerio Bertolasi

  DOI：10.1016/j.tetasy.2005.01.006

  日期：2005.2

  Clofibrate is a well-known peroxisome prolifierator-activated receptor-alpha (PPARalpha) agonist, used in the treatment of hyperlipaemias and atherosclerosis and to prevent heart failure. Herein, the preparation of the four enantiomerically pure stereoisomers of ethyl 2-(4-chlorophenoxy)-3-hydroxybutanoate as clofibrate analogues is described. Biological evaluation of these new compounds was performed by a transactivation assay in a transiently transfected monkey kidney fibroblast cell line. All four diastereomers were inactive even at 300 muM, where clofibrate showed an evident activity, suggesting that the designed clofibrate molecular structural modifications in the analogues caused the loss of peroxisome proliferator-activated receptor-alpha (PPARalpha) activity. (C) 2005 Elsevier Ltd. All rights reserved.
• US8410305B2
  申请人：——

  公开号：US8410305B2

  公开（公告）日：2013-04-02
• Determination of absolute structure of (−)-oudemansin b
  作者：Hiroyuki Akita、Hiroko Matsukura、Takeshi Oishil

  DOI：10.1016/s0040-4039(00)85221-1

  日期：1986.1
• A Convenient Synthesis of Enantiomerically Pure (2<i>R</i>,3<i>S</i>)- and (2<i>S</i>,3<i>R</i>)-3-Hydroxy-2-methylbutanoic Esters
  作者：Yves Petit、Caroline Sanner、Marc Larchevêque

  DOI：10.1055/s-1988-27629

  日期：——

  Both enantiomers of erythro methyl or ethyl 3-hydroxy-2-methylbutanoate were prepared by reaction of lithium dimethylcuprate with enantiomerically pure cis-2,3-epoxybutanoic esters derived from L- or D- threonine.

  两种对映体的赤霉醇或乙基3-羟基-2-甲基丁酸酯是通过锂二甲基铜盐与来源于L-或D-苏氨酸的对映体纯的顺式-2,3-环氧丁酸酯的反应制备的。