2-氨基甲基-5-甲基噻吩盐酸盐 | 171661-55-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氨基甲基-5-甲基噻吩盐酸盐
• 中文别名: 5-甲基-2-噻吩甲胺盐酸盐；2-氨甲基-5-甲基噻吩盐酸盐；(5-甲基噻吩-2-基)甲胺盐酸盐
• 英文名称: (5-methylthien-2-yl)methylamine hydrochloride
• 英文别名: (5-methylthiophen-2-yl)methanamine hydrochloride；(5-methylthiophen-2-yl)methanamine;hydrochloride
• CAS: 171661-55-5
• 化学式: C₆H₉NS*ClH
• 分子量: 163.671
• InChiKey: COTMVCYERKXKDX-UHFFFAOYSA-N

物化性质

• 熔点：
  191-193

计算性质

• 辛醇/水分配系数(LogP)：
  1.94
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  54.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (5-Methylthien-2-yl)methylamine, 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: (5-Methylthien-2-yl)methylamine, HCl
CAS number: 171661-55-5

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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, refrigerated.
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: C6H9NS.ClH
Molecular weight: 163.7

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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：

  2-氨基甲基-5-甲基噻吩盐酸盐 、 2,6-二氯-9-异丙基-9h-嘌呤 在 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 0.5h， 以94%的产率得到2-chloro-9-isopropyl-N-((5-methylthiophen-2-yl)methyl)-9H-purin-6-amine
  参考文献：
  名称：

  [EN] CALCIUM CHANNEL AGONISTS
  [FR] AGONISTES DE CANAUX CALCIQUES

  摘要：

  披露了钙通道激动剂的实施方式，以及制备和使用钙通道激动剂的方法。披露的钙通道激动剂及其相应的盐形式具有如下通用式I所示的结构，其中每个表示为“ ”的键是为了满足化合价要求而需要的单键或双键；Z1、Z2、Z3、Z4和Z5独立地是氮或碳；R1和R3是烷基；R2是烷基、芳基、杂环芳基、芳基烷基或杂环芳基烷基；而R4是烷基或羟基烷基。

  公开号：

  WO2014189830A1
• 作为产物：
  描述：

  5-甲基-2-噻吩甲醛 在 ammonium hydroxide 、 dicobalt phosphide 、 氢气 、 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 100.0 ℃ 、500.01 kPa 条件下， 生成 2-氨基甲基-5-甲基噻吩盐酸盐
  参考文献：
  名称：

  单晶磷化钴纳米棒作为羰基化合物还原胺化的高性能催化剂

  摘要：

  用于有机合成的金属磷化物催化剂的开发仍处于早期阶段。在此，我们报告了含有配位不饱和 Co-Co 活性位点的单晶磷化钴纳米棒 (Co 2 P NRs)的成功合成，其作为一类新型的空气稳定、高活性和可重复使用的非均相催化剂用于还原反应。羰基化合物的胺化。Co 2 P NR 催化剂在使用氨水溶液或乙酸铵作为绿色胺化试剂在 1 巴的 H 2压力下将范围广泛的羰基化合物转化为其相应的伯胺方面表现出高活性；这些情况比以前报道的要温和得多。Co 2的空气稳定性和高活性P NRs 值得注意，因为传统的 Co 催化剂对空气敏感（自燃）并且在温和条件下没有显示出这种转化的活性。因此，P 合金化对于用于有机合成的纳米工程空气稳定和高活性非贵金属催化剂具有相当重要的意义。

  DOI：

  10.1021/jacsau.1c00125

文献信息

• HIV Integrase Inhibitors
  申请人：Walker Michael A.

  公开号：US20080004265A1

  公开（公告）日：2008-01-03

  The invention encompasses a series bicyclic pyrimidinone compounds of Formula I which inhibit HIV integrase and prevent viral integration into human DNA. This action makes the compounds useful for treating HIV infection and AIDS. The invention also encompasses pharmaceutical compositions and methods for treating those infected with HIV.

  这项发明涵盖了一系列公式I的双环嘧啶酮化合物，这些化合物抑制HIV整合酶并防止病毒整合到人类DNA中。这种作用使得这些化合物对治疗HIV感染和艾滋病有用。该发明还涵盖了用于治疗HIV感染者的药物组合物和方法。
• [EN] CALCIUM CHANNEL AGONISTS<br/>[FR] AGONISTES DE CANAUX CALCIQUES
  申请人：UNIV PITTSBURGH

  公开号：WO2014189830A1

  公开（公告）日：2014-11-27

  Embodiments of calcium channel agonists, as well as methods of making and using the calcium channel agonists, are disclosed. The disclosed calcium channel agonists and corresponding salt forms have a structure according to general formula I wherein each bond depicted as " " is a single bond or a double bond as needed to satisfy valence requirements; Z1, Z2, Z3, Z4, and Z5 independently are nitrogen or carbon; R1 and R3 are alkyl; R2 is alkyl, aryl, heteroaryl, arylalkyl, or heteroarylalkyl; and R4 is alkyl or hydroxyalkyl.

  披露了钙通道激动剂的实施方式，以及制备和使用钙通道激动剂的方法。披露的钙通道激动剂及其相应的盐形式具有如下通用式I所示的结构，其中每个表示为“ ”的键是为了满足化合价要求而需要的单键或双键；Z1、Z2、Z3、Z4和Z5独立地是氮或碳；R1和R3是烷基；R2是烷基、芳基、杂环芳基、芳基烷基或杂环芳基烷基；而R4是烷基或羟基烷基。
• [EN] TETRAHYDROPYRAZOLO [1,5 -A] PYRIMIDINE AS ANTI -TUBERCULOSIS COMPOUNDS<br/>[FR] COMPOSÉS ANTITUBERCULEUX À BASE DE TÉTRAHYDRO-PYRAZOLO[1,5 -A]PYRIMIDINE
  申请人：GLAXO GROUP LTD

  公开号：WO2012143522A1

  公开（公告）日：2012-10-26

  A compound of Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 represents a group selected from: i) phenyl optionally substituted with one or two substituents independently selected from Me, OMe, CF3, F, CI and NMe2; ii) furanyl, thiophenyl, pyrrolyl, pyridyl, cyclohexyl or naphthyl, each of which is optionally substituted with one or two substituents independently selected from Me, OMe, CF3, F, CI and NMe2; and iii) benzo[1,3]dioxo5-yl or 2,3-dihydrobenzo[1,4]dioxin-6-yl; R2 represents CF3, C1-4alkyl, or CHF2; When R1 represents optionally substituted furanyl, thiophenyl, pyrrolyl, pyridyl or naphthyl, R3 represents Et; When R1 represents optionally substituted cyclohexyl, R3 represents Et or Me; Otherwise R3 represents Et, Me, Br or OMe, compositions containing them, their use in therapy, for example in the treatment of tuberculosis, and methods for the preparation of such compounds, are provided, together with certain novel compounds

  化合物的化学式（I）或其药用盐，其中R1代表以下之一的基团：i）苯基，可选择一个或两个取代基，独立选择自Me、OMe、CF3、F、CI和NMe2；ii）呋喃基、噻吩基、吡咯基、吡啶基、环己基或萘基，每个基团可选择一个或两个取代基，独立选择自Me、OMe、CF3、F、CI和NMe2；iii）苯并[1,3]二氧杂环戊烯-5-基或2,3-二氢苯并[1,4]二氧杂环戊烷-6-基；R2代表CF3、C1-4烷基或CHF2；当R1代表可选择的取代基呋喃基、噻吩基、吡咯基、吡啶基或萘基时，R3代表乙基；当R1代表可选择的取代基环己基时，R3代表乙基或甲基；否则R3代表乙基、甲基、溴或OMe，含有它们的组合物，它们在治疗中的用途，例如在结核病治疗中的用途，以及制备这类化合物的方法，以及一些新颖的化合物。
• [EN] TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES TRICYCLIQUES ET INHIBITEURS DE JAK
  申请人：NISSAN CHEMICAL IND LTD

  公开号：WO2013024895A1

  公开（公告）日：2013-02-21

  Novel tricyclic pyrimidine compounds and tricyclic pyridine compounds having JAK inhibitory activities are provided. A tricyclic heterocyclic compound represented by the formula (Ia): wherein the rings Aa and Ba, Xa, Ya, R1a, R2a, R3a, L1a, L2a, L3a and na are as defined in the description.

  本发明提供了具有JAK抑制活性的新型三环嘧啶化合物和三环吡啶化合物。其中一种三环杂环化合物的化学式为（Ia）：其中环Aa和Ba，Xa，Ya，R1a，R2a，R3a，L1a，L2a，L3a和na的定义如描述中所述。
• TETRAHYDROPYRAZOLO [1,5-A] PYRIMIDINE AS ANTI-TUBERCULOSIS COMPOUNDS
  申请人：Alvarez-Ruiz Emilio

  公开号：US20140038989A1

  公开（公告）日：2014-02-06

  A compound of Formula (I) or a pharmaceutically acceptable salt thereof: wherein: R 1 represents a group selected from: i) phenyl optionally substituted with one or two substituents independently selected from Me, OMe, CF 3 , F, Cl and NMe 2 ; furanyl, thiophenyl, pyrrolyl, pyridyl, cyclohexyl or naphthyl, each of which is optionally substituted with one or two substituents independently selected from Me, OMe, CF 3 , F, Cl and NMe 2 ; and iii) benzo[1,3]dioxo5-yl or 2,3-dihydrobenzo[1,4]dioxin-6-yl; R 2 represents CF 3 , C 1-4 alkyl, or CHF 2 ; when R 1 represents optionally substituted furanyl, thiophenyl, pyrrolyl, pyridyl or naphthyl, R 3 represents Et; when R 1 represents optionally substituted cyclohexyl, R 3 represents Et or Me; otherwise R 3 represents Et, Me, Br or OMe, compositions containing them, their use in therapy, for example in the treatment of tuberculosis, and methods for the preparation of such compounds, are provided, together with certain novel compounds.

  提供化合物公式（I）或其药学上可接受的盐：其中：R1代表从以下选择的基团：i）苯基，可选地用一个或两个取代基独立地选自Me，OMe，CF3，F，Cl和NMe2；呋喃基，噻吩基，吡咯基，吡啶基，环己基或萘基，每个基团可选地用一个或两个取代基独立地选自Me，OMe，CF3，F，Cl和NMe2；和iii）苯并[1,3]二氧杂环戊-5-基或2,3-二氢苯并[1,4]二氧杂环己-6-基；R2代表CF3，C1-4烷基或CHF2；当R1代表可选取代的呋喃基，噻吩基，吡咯基，吡啶基或萘基时，R3代表Et；当R1代表可选取代的环己基时，R3代表Et或Me；否则，R3代表Et，Me，Br或OMe，提供包含它们的组合物，它们在治疗中的用途，例如在结核病的治疗中，并提供制备这些化合物的方法，以及某些新化合物。