L(-)-甲基磺酰乙酯 | 63696-99-1

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酸盐/亚磺酸盐
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: L(-)-甲基磺酰乙酯
• 中文别名: L(-)-甲烷磺酰乳酸乙酯
• 英文名称: (S)-ethyl 2-(methylsulfonyloxy)propanoate
• 英文别名: Ethyl (-)-(S)-2-(Mesyloxy)propanoate；(-)-(S)-Ethyl 2-(mesyloxy)propionate；ethyl (S)-2-(methylsulfonyloxy)propanoate；(2S)-ethyl 2-(methylsulfonyloxy)propionate；ethyl (S)-2-(methanesulfonyloxy)propionate；(S)-2-((methylsulfonyl)oxy)propanoic acid ethyl ester；(2S)-2-methylsulphonyloxypropionic acid ethyl ester；(S)-methanesulfonyl lactic acid ethyl ester；(S)-ethyl 2-(methanesulfonyloxy)propanoate；R-(-)-ethyl 2-methanesulfonyloxypropionate；(S)-2-(Methylsulfonyloxy)propionsaeure-ethylester；(R)-ethyl 2-(methylsulfonyloxy)propanoate；ethyl S-2-(methylsulfonyl)-oxy-propionate；(S) ethyl 2-methanesulfonyloxypropionate；Ethyl S-O-(Methanesulfonyl)lactate；ethyl (2S)-2-methylsulfonyloxypropanoate
• CAS: 63696-99-1
• 化学式: C₆H₁₂O₅S
• 分子量: 196.224
• InChiKey: LONGCUIECIAYIP-YFKPBYRVSA-N

物化性质

• 沸点：
  103-105 °C (0.2 mmHg)
• 密度：
  1.31
• 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)：
  0.3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  C
• 安全说明：
  S25,S36/37/39,S45,S8
• 危险类别码：
  R14,R34
• 海关编码：
  2915900090
• 储存条件：
  存放在阴凉干燥处。

SDS

Name:	L(-)-methanesulfonylethyllactate Material Safety Data Sheet
Synonym:	Ethyl L(-)-methanesulfonyllactat
CAS:	63696-99-1

Section 1 - Chemical Product MSDS Name:L(-)-methanesulfonylethyllactate Material Safety Data Sheet
Synonym:Ethyl L(-)-methanesulfonyllactat

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
63696-99-1	L(-)-Methanesulfonylethyllactate	100.0	unlisted

Hazard Symbols: C
Risk Phrases: 14 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Causes burns.Corrosive.Water-reactive.Hygroscopic (absorbs moisture from the air).Stench.
Potential Health Effects
Eye:
Causes eye burns. Lachrymator (substance which increases the flow of tears).
Skin:
Causes skin burns.
Ingestion:
May cause corrosion and permanent tissue destruction of the esophagus and digestive tract.
Inhalation:
Irritation may lead to chemical pneumonitis and pulmonary edema.
Causes chemical burns to the respiratory tract.
Chronic:
No information found.

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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. If victim is conscious and alert, give 2-4 cupfuls of milk or water. 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:

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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 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Do not get on skin and clothing. Do not ingest or inhale. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 63696-99-1: 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: Liquid
Color: clear light brown
Odor: Stench
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 103 - 105 deg C @ .27mm Hg
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: reacts
Specific Gravity/Density: 1.3150g/cm3
Molecular Formula: C6H12O5S
Molecular Weight: 196.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 63696-99-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L(-)-Methanesulfonylethyllactate - 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 LIQUID, N.O.S.*
Hazard Class: 8
UN Number: 1760
Packing Group: II
IMO
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE LIQUID, N.O.S.
Hazard Class: 8
UN Number: 1760
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 34 Causes burns.
Safety Phrases:
S 8 Keep container dry.
S 25 Avoid contact with eyes.
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# 63696-99-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63696-99-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63696-99-1 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：

  L(-)-甲基磺酰乙酯 在 palladium 10% on activated carbon 氢气 、 乙酸酐 、 cesium fluoride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.5h， 生成 (S)-ethyl 2-(2,4,6-trioxohexahydropyrimidin-5-yl)propanoate
  参考文献：
  名称：

  [EN] 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS
  [FR] DÉRIVÉS DE 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE COMME INHIBITEURS DE FAK/PYK2

  摘要：

  这项发明涉及一种新型的2,4-二氨基-6,7-二氢-5H-吡咯并[2,3]嘧啶衍生物，作为FAK和/或Pyk2抑制剂，以及它们的制备方法、组合物，以及利用这些化合物抑制FAK和/或Pyk2并治疗由FAK和/或Pyk2介导的疾病或疾病的方法。

  公开号：

  WO2012092880A1
• 作为产物：
  描述：

  乳酸乙酯 在 三乙胺 作用下， 以 甲基磺酰氯 为溶剂， 生成 L(-)-甲基磺酰乙酯
  参考文献：
  名称：

  Preparation of amino acid derivatives

  摘要：

  一种羟基羧酸酯通过将-OH基团替换为-N.sub.3而转化为氨基酸酰胺，例如通过使用CH.sub.3SO.sub.2Cl和NaN.sub.3进行反应；通过与胺反应将酯转化为酰胺；并将-N.sub.3 还原为-NH.sub.2。本方法减轻了传统的阻断-解除程序的使用。

  公开号：

  US04855455A1

文献信息

• Process for making chiral 1,4-disubstituted piperazines
  申请人：Wyeth

  公开号：US20030208075A1

  公开（公告）日：2003-11-06

  A process for a stereoselective preparation of novel chiral nitrogen mustard derivatives useful in synthesizing optically active 1,4-disubstituted piperazines of formula: 1 wherein R, Ar, and Q are defined as set forth herein, and intermediate compounds therefor. The 1,4-disubstituted piperazines act as 5HT1A receptor binding agents useful in the treatment of Central Nervous System (CNS) disorders.

  一种用于立体选择性制备新型手性氮芥衍生物的方法，用于合成式中的光学活性1,4-二取代哌嗪： 其中R、Ar和Q的定义如本文所述，并且中间化合物。1,4-二取代哌嗪作为5HT1A受体结合剂，在治疗中枢神经系统（CNS）疾病中有用。
• 一种化合物及其用途
  申请人：成都海博锐药业有限公司

  公开号：CN109575022B

  公开（公告）日：2021-09-21

  本发明提供了一种新化合物，该化合物对氧化还原酶吲哚胺2，3‑双加氧酶(IDO)有一定的抑制活性，或可用于治疗与之相关的疾病，包括癌症及免疫相关疾病的用途。
• Iron(III)-Catalyzed Halogenations by Substitution of Sulfonate Esters
  作者：Nuria Ortega、Andrés Feher-Voelger、Margarita Brovetto、Juan I. Padrón、Victor S. Martín、Tomás Martín

  DOI：10.1002/adsc.201000740

  日期：2011.4.18

  A novel halogenation reaction from sulfonates catalyzed by iron(III) is described. The reaction can be performed as a stoichiometric or a catalytic version. This reaction provides a convenient strategy for the efficient access to structurally diverse secondary chlorides, bromides and iodides. The stereochemical course of the reaction is governed by the substrate and the experimental conditions. Secondary

  描述了由铁（III）催化的磺酸盐的新型卤化反应。该反应可以化学计量形式或催化形式进行。该反应为有效地获得结构上多样的仲氯化物，溴化物和碘化物提供了便利的策略。反应的立体化学过程取决于底物和实验条件。改性为堂基化物或pysylates的仲醇具有更高的反应性。脂肪族基磺酸盐在催化条件下进行构型的整体转化。观察到二甲磺酸酯的化学选择性有利于仲甲磺酸酯。另外，基于实验结果，已经提出了卤化的可能的催化循环。
• Synthesis of optically active α-(nonafluoro-tert-butoxy)carboxylic acids
  作者：Tamás Csóka、Anikó Nemes、Dénes Szabó

  DOI：10.1016/j.tetlet.2013.01.072

  日期：2013.3

  Three novel α-(nonafluoro-tert-butoxy)carboxylic esters were synthesized by two methods: the Mitsunobu reaction of optically active (S)-α-hydroxycarboxylic esters and the Williamson synthesis starting from the corresponding O-mesyl derivatives. Both procedures from ethyl (S)-lactate resulted in the formation of a fluorous optically active (R)-lactic acid ester derivative, while the reactions from methyl

  通过两种方法合成了三种新颖的α-（九氟叔丁基氧基）羧酸酯：旋光性（S）-α-羟基羧酸酯的Mitsunobu反应和从相应的O-甲磺酰基衍生物开始的Williamson合成。来自（S）-乳酸乙酯的两种方法均形成氟光学活性（R）-乳酸酯衍生物，而来自（S）-扁桃酸甲酯的反应在消旋作用下进行。描述了这种消旋作用的建议机制。在Mitsunobu条件下，（S）-苯基乳酸甲酯的转化也具有立体特异性，但其O的反应-甲磺酰基衍生物产生取代和消除产物的混合物。通过上述酯的水解制备的α-（九氟叔丁氧基）羧酸的光学纯度通过1 H NMR光谱法测定。
• Preparation of Methyl 2-Arylpropanoates by the Reaction of 2-Hydroxypropiophenone Dimethyl Acetals with Sulfuryl Chloride in the Presence of an Amide or a Weak Base
  作者：Takayoshi Yamauchi、Kaneaki Hattori、Kenji Nakao、Kentaro Tamaki

  DOI：10.1246/bcsj.60.4015

  日期：1987.11

  Treatment of 2-hydroxypropiophenone dimethyl acetals [p-RC6H4C(OMe)2CH(OH)Me] (1; R=H, i-Bu, OMe, Ph, Br) with sulfuryl chloride in the presence of an amide or a weak base affords methyl 2-arylpropanoates (2) in good to excellent yields via 1,2-aryl migration of 1. The hydrolysis of 2 leads to the corresponding acids, some of which are pharmaceutically important compounds having nonsteroidal anti-inflammatory

  在酰胺或弱碱存在下用磺酰氯处理 2-羟基苯丙酮二甲基缩醛 [p-RC6H4C(OMe)2CH(OH)Me] (1; R=H, i-Bu, OMe, Ph, Br)通过 1 的 1,2-芳基迁移以良好至优异的产率提供 2-芳基丙酸甲酯 (2)。 2 的水解产生相应的酸，其中一些是具有非甾体抗炎和镇痛活性的药学上重要的化合物。芳基迁移立体定向地进行，β-碳原子的构型完全反转。