乙基三氟巯基乙酯 | 383-64-2

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇酯
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 中文名称: 乙基三氟巯基乙酯
• 中文别名: 三氟乙酸乙硫醇酯；三氟硫代乙酸S-乙酯；S-乙基三氟硫代乙酸酯
• 英文名称: S-ethyl trifluoroacetate
• 英文别名: S-ethyl trifluorothioacetate；S-ethylthioltrifluoroacetate；S-ethyl 2,2,2-trifluoroethanethioate
• CAS: 383-64-2
• 化学式: C₄H₅F₃OS
• 分子量: 158.144
• InChiKey: VGGUKFAVHPGNBF-UHFFFAOYSA-N

物化性质

• 沸点：
  90.5 °C(lit.)
• 密度：
  1.234 g/mL at 25 °C(lit.)
• 闪点：
  39 °F
• 稳定性/保质期：

  易燃，对呼吸系统具有刺激性。

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  3.1
• 危险品标志：
  F,Xi
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R36/37/38,R11
• WGK Germany：
  3
• 海关编码：
  2930909090
• 包装等级：
  II
• 危险类别：
  3.1
• 危险标志：
  GHS02,GHS07
• 危险品运输编号：
  UN 3272 3/PG 2
• 危险性描述：
  H225,H315,H319,H335
• 危险性防范说明：
  P210,P261,P305 + P351 + P338
• 储存条件：
  本品应密封存放在阴凉处。

SDS

Name:	S-Ethyl Trifluorothioacetate 99% Material Safety Data Sheet
Synonym:
CAS:	383-64-2

Section 1 - Chemical Product MSDS Name:S-Ethyl Trifluorothioacetate 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
383-64-2	S-Ethyl Trifluorothioacetate	99	206-852-1

Hazard Symbols: XI F
Risk Phrases: 11 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable. Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. 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. Extremely flammable liquid and vapor. Containers may explode in the heat of a fire. Will be easily ignited by heat, sparks or flame.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Ground and bond containers when transferring material. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Flammables-area.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 383-64-2: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 90.4 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 3 deg C ( 37.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2340g/cm3
Molecular Formula: C4H5F3OS
Molecular Weight: 158.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong bases, strong acids, strong reducing agents, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, hydrogen sulfide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 383-64-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
S-Ethyl Trifluorothioacetate - 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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.2
UN Number: 1993
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI F
Risk Phrases:
R 11 Highly flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
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# 383-64-2: No information available.
Canada
CAS# 383-64-2 is listed on Canada's DSL List.
CAS# 383-64-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 383-64-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

制备方法

三氟乙酰试剂。

用途简介

暂无具体用途介绍。

用途

三氟乙酰试剂。

反应信息

• 作为反应物：
  描述：

  L-丙氨酰-L-丙氨酸 、 乙基三氟巯基乙酯 以78%的产率得到N-Trifluoroacetyl-L-alanyl-L-alanine
  参考文献：
  名称：

  Trifluoromethylated oligopeptides

  摘要：

  具有以下式的化合物##STR1##其中(1)--X--Y--为-L-Ala-L-Ala-，R为H，m-NO.sub.2，m-CF.sub.3，p-Cl，p-NO.sub.2，p-CF.sub.3，p-OCH.sub.3，p-CH(CH.sub.3).sub.2，p-CN或p-COOH，(2)--x--y--为-L-Lys-L-Ala-，R为H，p-CF.sub.3，p-CH.sub.3，p-CH(CH.sub.3).sub.2，##STR2##或p-COCH.sub.3，(3)--X--Y--为##STR3##且R为H，或(4)--X--Y--为-L-Lys-L-Lys或L-Ala-L-Lys，R为p-CF.sub.3。这些化合物是猪胰蛋白酶和人类白细胞弹性蛋白酶的可逆抑制剂。

  公开号：

  US04153688A1
• 作为产物：
  描述：

  三氟乙酰氯 、 乙硫醇 生成 乙基三氟巯基乙酯
  参考文献：
  名称：

  Thiolesters of Perfluorocarboxylic Acids

  摘要：

  DOI：

  10.1021/ja01136a010

文献信息

• Preparation of an affinity gel for opiate receptors.
  作者：Toshiyuki Fujioka、Fumiko Inoue、Masayuki Kuriyama

  DOI：10.1248/cpb.33.4633

  日期：——

  [D-Ala2, Leu5] Enkephalin was coupled with aminohexyl-Sepharose at its C-terminal. This gel could bind solubilized opiate receptors prepared from rat brain using digitonin. This suggests that the prepared gel is a prominent candidate as an affinity gel for opiate receptors.

  [D-Ala2, Leu5] 脑啡肽在其C端的氨基酸己基-琼脂糖上偶联。这种凝胶能够结合使用皂素从大鼠脑中制备的可溶性阿片受体。这表明，制备的凝胶是阿片受体的亲和凝胶的突出候选者。
• USE OF SULPHATED GLYCOLIPIDS AS PROMOTERS OF NEURITIC GROWTH AND MYELINATION AND INHIBITORS OF THE PROLIFERATION OF ASTROGLIA AND MICROGLIA
  申请人：Consejo Superior De Investigaciones Científicas (CSIC)

  公开号：EP2871183A1

  公开（公告）日：2015-05-13

  The invention relates to the use of a compound having formula I, in which R1 is an alkenyl group C5-C25 containing one or more double carbon-carbon bonds, R2 is selected independently from the group consisting of methyl and fluorinated methyl, and R3 and/or R4 is a SO3M group, in which M is selected from the group consisting of hydrogen, alkali metal, ammonium and quaternary amine, the other being hydrogen or acyl, for the production of a drug for the treatment of central nervous system disorders selected from the group consisting of lesions caused by CNS trauma, demyelinating diseases, neuro-inflammatory diseases and mental disorders caused a low level of BDNF. The invention also relates to compounds having formula I, to methods for producing said compounds and to compositions containing same.

  本发明涉及一种具有公式I的化合物的使用，其中R1是含有一个或多个双碳-碳键的C5-C25烯基团，R2独立地选自甲基和氟甲基组成的组，R3和/或R4是SO3M基团，其中M选自由氢、碱金属、铵和季铵组成的组，另一个是氢或酰基，用于制备用于治疗中枢神经系统障碍的药物，该障碍选自由中枢神经系统创伤引起的损伤、脱髓鞘疾病、神经炎症疾病和由低水平脑源性神经营养因子（BDNF）引起的精神障碍。本发明还涉及具有公式I的化合物，制备所述化合物的方法以及包含该化合物的组合物。
• Studies on analgesic oligopeptides. II. Structure-activity relationship among thirty analogs of a cyclic dipeptide, cyclo(-Tyr-Arg-)
  作者：YUSUKE SASAKI、YASUYUKI AKUTSU、MICHIKO MATSUI、KENJI SUZUKI、SHINOBU SAKURADA、TAKUMI SATO、KENSUKE KISARA

  DOI：10.1248/cpb.30.4435

  日期：——

  Thirty diketopiperazines were synthesized as analogs of cyclo (-Tyr-Arg-). The analgesic activities of these analogs were evaluated after intracerebral administration in mice. In the cyclo (-X-Arg-) series of analogs, cyclo [-Tyr (Et)-Arg-] showed the most potent activity. In the cyclo (-Tyr-Y-) series of analogs, the activity decreased in the order Y=homoarginine, p-guanidinophenylalanine, 2-amino-4-guanidinobutyric acid, Lys, Orn, His, α, γ-diaminobutyric acid and Pro. Among the analogs synthesized, cyclo-[-Tyr (Et)-Har-], which was designed on the basis of the above results, exhibited remarkably potent analgesic activity, being 17 times more potent than cyclo (-Tyr-Arg-) and nearly as potent as morphine on a molar basis. The structure-activity relation of cyclo(-Tyr-Arg-) is discussed in the light of these results.

  合成了30种双吡咯并哌嗪类环(-Tyr-Arg-)类似物，并评价了它们对小鼠脑室内给药后的镇痛活性。在环(-X-Arg-)系列类似物中，环[-Tyr(Et)-Arg-]显示出最强的活性。在环(-Tyr-Y-)系列类似物中，活性按Y=高精氨酸、对胍苯丙氨酸、2-氨基-4-胍基丁酸、赖氨酸、鸟氨酸、组氨酸、α,γ-二氨基丁酸和脯氨酸的顺序递减。在合成的类似物中，环-[-Tyr(Et)-Har-]基于上述结果设计，表现出极其强大的镇痛活性，比环(-Tyr-Arg-)强17倍，按摩尔计算几乎与吗啡一样有效。根据这些结果，讨论了环(-Tyr-Arg-)的构效关系。
• [EN] ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS<br/>[FR] ANALOGUES D'AMINOGLYCOSIDES ANTIBACTÉRIENS
  申请人：ACHAOGEN INC

  公开号：WO2009067692A1

  公开（公告）日：2009-05-28

  Compounds of structure (I): having antibacterial activity are disclosed, including stereoisomers, pharmaceutically acceptable salts and prodrugs thereof, wherein Q1, Q2, Q3, R8 and R9 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  结构（I）的化合物具有抗菌活性，包括立体异构体、药用可接受的盐和前药，其中Q1、Q2、Q3、R8和R9如本文所定义。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。
• Synthesis and Anticonvulsant Activities of (<i>R</i>)-<i>N</i>-(4′-Substituted)benzyl 2-Acetamido-3-methoxypropionamides
  作者：Christophe Salomé、Elise Salomé-Grosjean、Ki Duk Park、Pierre Morieux、Robert Swendiman、Erica DeMarco、James P. Stables、Harold Kohn

  DOI：10.1021/jm901563p

  日期：2010.2.11

  National Institute of Neurological Disorders and Stroke Anticonvulsant Screening Program for seizure protection in the maximal electroshock (MES) and subcutaneous Metrazol models. Comparing activities for two series of substituted aryl regioisomers (2′, 3′, 4′) showed that 4′-modified derivatives had the highest activity. Significantly, structural latitude existed at the 4′-site. The SAR indicated that

  已经探索了临床抗癫痫药 ( R )-拉科酰胺 [( R ) -N-苄基 2-乙酰氨基-3-甲氧基丙酰胺，( R ) -3 ] 中N-苄基的构效关系 (SAR) 。制备了 43 种化合物，然后在国家神经疾病研究所和中风抗惊厥筛查计划中评估其在最大电击 (MES) 和皮下美曲唑模型中的癫痫保护作用。比较两个系列取代的芳基区域异构体（2'、3'、4'）的活性表明，4'-修饰的衍生物具有最高的活性。值得注意的是，结构纬度存在于 4' 位点。SAR 表明非庞大的 4'-取代（R )- 3衍生物表现出极好的活性，与它们的电子特性无关。几种化合物在 MES 测试中的活性与 ( R ) -3的活性相当或超过，并且超过了对传统抗癫痫药苯妥英、苯巴比妥和丙戊酸盐观察到的活性。

表征谱图