2-氨基-2-硫氧乙基特戊酸酯 | 175204-79-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 中文名称: 2-氨基-2-硫氧乙基特戊酸酯
• 中文别名: 2-氨基-2-硫氧代乙基三甲基乙酸盐
• 英文名称: 2,2-dimethyl-propionic acid thiocarbamoylmethyl ester
• 英文别名: 2-(tert-butyl-carbonyloxy)thioacetamide；2-amino-2-thioxoethyl 2,2-dimethylpropanoate；2-(tert-butylcarbonyloxy)thioacetamide；2-amino-2-thioxoethylpivalate；2-amino-2-thioxoethyl pivalate；2-(pivaloyloxy)-thioacetamide；(2-amino-2-sulfanylideneethyl) 2,2-dimethylpropanoate
• CAS: 175204-79-2
• 化学式: C₇H₁₃NO₂S
• mdl: MFCD00204238
• 分子量: 175.252
• InChiKey: COULAOZTCJTHOX-UHFFFAOYSA-N

物化性质

• 熔点：
  78-80
• 沸点：
  251.6±42.0 °C(Predicted)
• 密度：
  1.121±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  84.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2930909090

SDS

Name:	2-Amino-2-thioxoethyl pivalate 97% Material Safety Data Sheet
Synonym:	2-(tert-Butylcarbonyloxy)thioacetamide
CAS:	175204-79-2

Section 1 - Chemical Product MSDS Name:2-Amino-2-thioxoethyl pivalate 97% Material Safety Data Sheet
Synonym:2-(tert-Butylcarbonyloxy)thioacetamide

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175204-79-2	2-Amino-2-thioxoethyl pivalate	97%	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: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. 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 cool, dry place. Store in a tightly closed container.

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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# 175204-79-2: 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:
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: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 78 - 80 deg C
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: C7H13NO2S
Molecular Weight: 175

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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:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175204-79-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Amino-2-thioxoethyl pivalate - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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# 175204-79-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175204-79-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175204-79-2 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：

  2-氨基-2-硫氧乙基特戊酸酯 在 sodium acetate 、 溶剂黄146 、 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 [5-[Cyano(morpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate
  参考文献：
  名称：

  2-CHLORO-N-[2-(1,3-THIAZOL-5-YL)ETHYL]-5-(5-FLUOROPYRIMIDIN-2-YL)-BENZAMIDES AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及一种新型的取代哌啶和吗啉化合物，其化学式为（I）： 其中，X为O或CF2；R1和R2分别选自氢、CH2OH、CH2F、CHF2、环丙基或-C≡CH的群组，但当R1和R2中有一个为CH2OH、CH2F、CHF2、环丙基或-C≡CH时，另一个为氢，具有P2X7受体（P2X7）拮抗作用，制备这些化合物的药物组合物、化学制剂以及它们在治疗或预防与P2X7受体活性有关的动物疾病，尤其是人类疾病中的应用。

  公开号：

  EP3290417A1

文献信息

• [EN] OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS OXADIAZOLE QUI INHIBENT L'ACTIVITÉ DE LA BÊTA-SECRÉTASE, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：COMENTIS INC

  公开号：WO2012054510A1

  公开（公告）日：2012-04-26

  The invention provides novel beta-secretase inhibitors and methods for their including methods of treating Alzheimer's disease.

  这项发明提供了新型β-分泌酶抑制剂以及它们的方法，包括治疗阿尔茨海默病的方法。
• [EN] THIAZOLE AND OXAZOLE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE À BASE DE THIAZOLE ET D'OXAZOLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009076140A1

  公开（公告）日：2009-06-18

  The present invention provides thiazole and oxazole compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents.

  本发明提供了噻唑和恶唑化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的应用方法。
• [EN] PHENOXYPYRIDINYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PDE4 MEDIATED DISEASE STATES<br/>[FR] DÉRIVÉS DE PHÉNOXYPYRIDINYLAMIDE ET LEUR UTILISATION DANS LE TRAITEMENT D'ÉTATS PATHOLOGIQUES INDUITS PAR LA PHOSPHODIÉSTERASE 4 (PDE4)
  申请人：ASTRAZENECA AB

  公开号：WO2009144494A1

  公开（公告）日：2009-12-03

  The present invention provides a compound of a formula (I), wherein the variables are defined herein; to a process for preparing such a compound; and to the use of such a compound in the treatment of a PDE4 mediated disease state.

  本发明提供了一种化合物的公式(I)，其中变量在此定义；以及制备这种化合物的方法；以及在治疗PDE4介导的疾病状态中使用这种化合物。
• [EN] COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS<br/>[FR] COMPOSES ET COMPOSITIONS SERVANT DE MODULATEURS PPAR
  申请人：IRM LLC

  公开号：WO2005116000A1

  公开（公告）日：2005-12-08

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with the activity of the Peroxisome Proliferator-Activated Receptor (PPAR) families, particularly the activity of PPAR.

  这项发明提供了化合物，包括这些化合物的药物组合物，以及使用这些化合物来治疗或预防与过氧化物酶体增殖物激活受体（PPAR）家族的活性相关的疾病或紊乱的方法，特别是PPAR的活性。
• 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof
  申请人：MUNEAUX Yvette

  公开号：US20080262020A1

  公开（公告）日：2008-10-23

  The disclosure relates to compounds of formula (I): wherein R 1 , R 2 , R 3 , R 4 , are R 5 are as defined in the disclosure; their preparation method, compositions containing the same and therapeutic use thereof.

  该公开涉及到式(I)的化合物： 其中R1、R2、R3、R4、R5如本公开所定义；它们的制备方法，含有这些化合物的组合物以及它们的治疗用途。