4-氨基-4-四羧水基噻喃 | 67639-41-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡喃类化合物
• 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: 4-氨基-4-四羧水基噻喃
• 中文别名: 4-氨基四氢-2H-硫代吡喃-4-羧酸盐酸盐
• 英文名称: 4-amino-tetrahydrothiopyran-4-carboxylate hydrochloride
• 英文别名: 4-aminotetrahydro-2H-thiopyran-4-carboxylic acid hydrochloride；4-aminothiane-4-carboxylic acid;hydrochloride
• CAS: 67639-41-2
• 化学式: C₆H₁₁NO₂S*ClH
• 分子量: 197.686
• InChiKey: XALTWSZOXHORRK-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  88.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29339980

SDS

Name:	4-Amino-4-Carboxytetrahydrothiopyran Hydrochloride 95% Material Safety Data Sheet
Synonym:	None Known
CAS:	67639-41-2

Section 1 - Chemical Product MSDS Name:4-Amino-4-Carboxytetrahydrothiopyran Hydrochloride 95% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
67639-41-2	4-Amino-4-Carboxytetrahydrothiopyran H	95%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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.
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. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation.
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:
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. Use with adequate ventilation. Wash clothing before reuse.
Storage:
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# 67639-41-2: 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: Crystalline powder
Color: grey - brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
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:
Specific Gravity/Density:
Molecular Formula: C6H11NO2S.HCl
Molecular Weight: 161.1425

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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:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, 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# 67639-41-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Amino-4-Carboxytetrahydrothiopyran Hydrochloride - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 67639-41-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 67639-41-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 67639-41-2 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：

  甲醇 、 4-氨基-4-四羧水基噻喃 在 氯化亚砜 、 sodium hydroxide 作用下， 以 水 为溶剂， 以39%的产率得到4-amino-4-methoxycarbonyl-tetrahydrothiopyrane
  参考文献：
  名称：

  WO2007/46550

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氨基-4-氰基-四氢噻喃盐酸盐 在 盐酸 、 水 作用下， 生成 4-氨基-4-四羧水基噻喃
  参考文献：
  名称：

  WO2007/46550

  摘要：

  公开号：

文献信息

• Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof
  申请人：Evans Karen

  公开号：US20070249670A1

  公开（公告）日：2007-10-25

  The invention relates to glycogen phosphorylase inhibitor compounds, pharmaceutical compositions of these compounds, methods of treatment using the pharmaceutical compositions to treat diabetes, conditions associated with diabetes, and/or tissue ischemia, including myocardial ischemia, and processes for making the compounds.

  本发明涉及糖原磷酸化酶抑制剂化合物、这些化合物的药物组合物、使用这些药物组合物治疗糖尿病、与糖尿病相关的疾病和/或组织缺血，包括心肌缺血的方法，以及制备这些化合物的过程。
• Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity
  申请人：Moritani Yasunori

  公开号：US20090048256A1

  公开（公告）日：2009-02-19

  The present invention relates to a pyrazole compound having potent CB1-antagonizing activity, having the following formula [I]: wherein R 1 and R 2 are the same or different and an optionally substituted aryl group etc., R 3 is an alkyl group etc., E is one of the following groups of the formula (i) to (iv): Q 1 is a single bond, an alkylene group or a group of the formula: —N(R 7 )—, R 7 is a hydrogen atom or an alkyl group, Q 2 is a single bond, an oxygen atom or an alkylene group, R 4 is a cycloalkyl group, a group of the formula: —N(R 5 )(R 6 ) etc., one of R 5 and R 6 is a hydrogen atom or an alkyl group and the other is an alkyl group, a group of the formula: —N(R 8 )(R 9 ) etc., D is an oxygen atom etc., R A1 is an amino group etc., R A2 is an optionally substituted aliphatic heterocyclic group, R is an alkyl group optionally substituted by one to three halogen atom(s) etc., one of R 8 and R 9 is a hydrogen atom or an alkyl group and the other is an alkyl group etc., or a pharmaceutically acceptable salt thereof.

  本发明涉及一种具有强效CB1拮抗活性的吡唑化合物，具有以下式[I]：其中R1和R2相同或不同，且可以是取代的芳基等，R3是烷基等，E是以下式(i)至(iv)中的一种基团：Q1是单键，烷基或式：—N（R7）—的基团，R7是氢原子或烷基，Q2是单键，氧原子或烷基，R4是环烷基，式：—N（R5）（R6）等的基团，其中R5和R6中的一个是氢原子或烷基，另一个是烷基，式：—N（R8）（R9）等的基团，D是氧原子等，RA1是氨基等，RA2是可选取代的脂肪族杂环基团，R是烷基，可选取代为1至3个卤原子等，R8和R9中的一个是氢原子或烷基，另一个是烷基等，或其药学上可接受的盐。
• GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1812383A1

  公开（公告）日：2007-08-01
• PYRAZOLE COMPOUNDS HAVING CANNABINOID RECEPTOR (CB1) ANTAGONIZING ACTIVITY
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1951678A1

  公开（公告）日：2008-08-06
• US7872006B2
  申请人：——

  公开号：US7872006B2

  公开（公告）日：2011-01-18