4,5,6,7-四氢噻吩[2,3-C]并吡啶盐酸盐 | 28783-38-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 中文名称: 4,5,6,7-四氢噻吩[2,3-C]并吡啶盐酸盐
• 中文别名: 4,5,6,7-四氢噻吩[2,3-c]吡啶盐酸盐；4,5,6,7-四氢噻吩[2,3-C]吡啶盐酸盐
• 英文名称: 4,5,6,7-tetrahydrothieno[2,3-c]pyridine hydrochloride
• 英文别名: 4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
• CAS: 28783-38-2
• 化学式: C₇H₉NS*ClH
• mdl: MFCD08448167
• 分子量: 175.682
• InChiKey: VQEOIFRMJGFLQH-UHFFFAOYSA-N

物化性质

• 熔点：
  >140°C (dec.)
• 溶解度：
  可溶于二甲基亚砜、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,5,6,7-Tetrahydrothieno[2,3-c]pyridine, HCl
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4,5,6,7-Tetrahydrothieno[2,3-c]pyridine, HCl
CAS number: 28783-38-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H9NS.ClH
Molecular weight: 175.7

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢噻吩[2,3-C]并吡啶盐酸盐 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 1.5h， 以90%的产率得到2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridine hydrobromide
  参考文献：
  名称：

  [EN] DIAZACARBAZOLES AND METHODS OF USE
  [FR] DIAZACARBAZOLES ET PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2009151598A8
• 作为产物：
  描述：

  叔-丁基4,5-二氢噻吩并[2,3-C]吡啶-6(7H)-羧酸酯 在 盐酸 作用下， 以 甲醇 为溶剂， 生成 4,5,6,7-四氢噻吩[2,3-C]并吡啶盐酸盐
  参考文献：
  名称：

  Condensed compounds, their production and use

  摘要：

  这项发明提供了新的浓缩呋喃化合物，表现出优异的2,3-氧化甾醇合酶抑制和高密度脂蛋白胆固醇升高活性。该发明还提供了一种治疗和预防高脂血症、高胆固醇血症和动脉粥样硬化的药物。

  公开号：

  US05998433A1

文献信息

• 阿片受体激动剂及其应用
  申请人：四川海思科制药有限公司

  公开号：CN109206417B

  公开（公告）日：2023-01-03

  本申请描述了可以用作阿片受体配体的化合物及其盐，及制备方法和含有该化合物的组合物，及其可以作为μ阿片受体激动剂的用途，用于治疗μ阿片受体介导的相关疾病，如疼痛和疼痛相关的紊乱。
• Arylmethoxy Isoindoline Derivatives and Compositions Comprising and Methods of Using the Same
  申请人：Man Hon-Wah

  公开号：US20110196150A1

  公开（公告）日：2011-08-11

  Provided are 4′-arylmethoxy isoindoline compounds, and pharmaceutically acceptable salts, solvates, clathrates, stereoisomers, and prodrugs thereof. Methods of use, and pharmaceutical compositions of these compounds are disclosed.

  提供了4'-芳基甲氧基异吲哚啉化合物，以及其药用盐、溶剂合物、包合物、立体异构体和前药。公开了这些化合物的使用方法和药物组合物。
• 取代噁唑烷酮类化合物及其使用方法和用途
  申请人：广东东阳光药业有限公司

  公开号：CN104497008B

  公开（公告）日：2016-11-16

  本发明提供一种如式(I)所示的取代噁唑烷酮类化合物或其立体异构体、互变异构体、氮氧化物、溶剂化物、代谢产物、药学上可接受的盐或前药，用于抑制Xa因子。式(I)中为单键或是双键；K为6个原子组成杂环基或苯基；X为CR或N，其中R为H或卤素；R1为5个原子组成的杂芳基，所述5个原子组成的杂芳基任选地被卤素取代；L1为键、‑C(＝O)NHCH2‑或‑CH2NHC(＝O)‑；L2为‑C(＝O)NH‑或‑NHC(＝O)‑；和n为0或1。本发明还提供了包含该类化合物的药物组合物和使用本发明化合物或其药物组合物预防或治疗血栓栓塞性疾病的方法。
• Compound with platelet aggregation inhibitor activity
  申请人：Meiji Seika Kabushiki Kaisha

  公开号：US05594004A1

  公开（公告）日：1997-01-14

  A compound represented by the general formula (I) and a pharmaceutically acceptable salt and solvate thereof having an effect for inhibiting the agglutination of platelets is disclosed: ##STR1## wherein R.sup.1 represents a group --W--(CH.sub.2).sub.i --COOR.sup.3, R.sup.2 represents a hydrogen atom or a group --W--(CH.sub.2).sub.i --COOR.sup.3 or --OR.sup.4, X represents --CH.dbd. or --N.dbd., Y represents (i) a group --(CO).sub.k --N(R.sup.5)--Z--, wherein Z represents a bond or a group --(CH.sub.2).sub.m --CO-- or a group --(CH.sub.2).sub.m --CHR.sup.6 --, (ii) a group --(CH.sub.2).sub.m --N(R.sup.5)--(CO).sub.k --, or (iii) a group --(CO).sub.k -Het, wherein Het represents a five- or six-membered heterocyclic ring comprising a nitrogen atom, A represents (i) the following groups (III) or (IV) ##STR2## B represents a bond, C.sub.1-6 alkylene or C.sub.2-6 alkenylen.

  公开了一种由通式（I）表示的化合物及其在制约血小板凝聚方面具有作用的药用可接受盐和溶剂：其中R.sup.1代表一个基团--W--(CH.sub.2).sub.i --COOR.sup.3，R.sup.2代表氢原子或基团--W--(CH.sub.2).sub.i --COOR.sup.3或--OR.sup.4，X代表--CH.dbd.或--N.dbd.，Y代表（i）一个基团--(CO).sub.k --N(R.sup.5)--Z--，其中Z代表一个键或一个基团--(CH.sub.2).sub.m --CO--或一个基团--(CH.sub.2).sub.m --CHR.sup.6 --，（ii）一个基团--(CH.sub.2).sub.m --N(R.sup.5)--(CO).sub.k --，或（iii）一个基团--(CO).sub.k-Het，其中Het代表一个含氮原子的五元或六元杂环环，A代表（i）以下基团（III）或（IV），B代表一个键，C.sub.1-6烷基或C.sub.2-6烯基。
• 一种II型硫酸氢氯吡格雷的制备方法
  申请人：武汉武药制药有限公司

  公开号：CN109867684B

  公开（公告）日：2022-06-17

  本申请公开了一种II型硫酸氢氯吡格雷的制备方法。所述方法包括以氯吡格雷游离碱为原料制备II型硫酸氢氯吡格雷，其中，氯吡格雷游离碱的制备方法包括如下步骤：(1)R‑邻氯扁桃酸在催化剂的存在下，在有机溶剂中与甲醇反应得到R‑邻氯扁桃酸甲酯的反应混合液；(2)将步骤(1)得到的R‑邻氯扁桃酸甲酯的反应混合液与有机碱和催化剂混合后在苯磺酰氯的存在下进行反应得到2‑苯磺酸基‑2‑(2‑氯苯基)乙酸甲酯的反应混合液；(3)将步骤(2)得到的2‑苯磺酸基‑2‑(2‑氯苯基)乙酸甲酯的反应混合液与4,5,6,7‑四氢噻吩并吡啶盐酸盐和碳酸钾混合后反应得到所述氯吡格雷游离碱。