四氢噻喃-4-胺 | 21926-00-1

• 物质功能分类: 有机原料 - 氨基化合物 - 环烷胺、芳香单胺、芳香多胺及其衍生物和盐
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 中文名称: 四氢噻喃-4-胺
• 中文别名: 四氢硫代吡喃-4-基胺
• 英文名称: 4-tetrahydrothiopyranylamine
• 英文别名: tetrahydro-2H-thiopyran-4-amine；tetrahydro-thiopyran-4-ylamine；4-aminotetrahydro-2H-thiopyran；4-aminotetrahydro thiopyran；thian-4-amine
• CAS: 21926-00-1
• 化学式: C₅H₁₁NS
• mdl: MFCD07371524
• 分子量: 117.215
• InChiKey: RPIXOLUIHUFDOY-UHFFFAOYSA-N

物化性质

• 熔点：
  0°C
• 沸点：
  0°C
• 密度：
  1.032±0.06 g/cm3(Predicted)
• 闪点：
  0°C

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  51.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存储条件：2-8°C，避光，保存于惰性气体中

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: Tetrahydrothiopyran-4-ylamine
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: Tetrahydrothiopyran-4-ylamine
CAS number: 21926-00-1

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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: C5H11NS
Molecular weight: 117.2

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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, 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

制备方法与用途

四氢噻喃-4-胺可用作有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。

反应信息

• 作为反应物：
  描述：

  四氢噻喃-4-胺 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 1.0h， 生成 四氢硫代吡喃-4-胺盐酸盐
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  本发明提供了一种具有黑色素浓集激素受体拮抗作用和低毒性的化合物，可用作预防或治疗肥胖等疾病的药剂。本发明涉及一种由下式（I）表示的化合物：其中每个符号如规范中定义的，或其盐。

  公开号：

  EP2261213A1
• 作为产物：
  描述：

  四氢噻喃-4-酮 在 氨 、 氢气 作用下， 以 1,4-二氧六环 为溶剂， 以87%的产率得到四氢噻喃-4-胺
  参考文献：
  名称：

  高活性、耐硫磷化钌催化剂用于羰基化合物的高效还原胺化

  摘要：

  贵金属磷化物在液相分子转化中的催化作用很少被探索。在此，我们揭示了活性炭负载的磷化钌纳米粒子（Ru 2 P/C）作为羰基化合物还原胺化的高效多相催化剂的卓越性能。通常，Ru 2 P/C 即使在 1 bar 的 H 2 /NH 3混合气体下也表现出高胺化活性，这与需要高 H 2压力（H 2 2.5-40 bar）的传统 Ru 催化剂形成鲜明对比。此外，Ru 2 P/C 在脂肪族、芳香族和杂芳香族羰基化合物中表现出多功能性，能够以高产率提供相应的胺。值得注意的是，Ru 2 P/C 对含硫羰基化合物表现出高耐受性，这些化合物因其与金属活性物质强烈配位而导致失活的潜力而闻名。基于控制实验、动力学研究、光谱分析、程序升温解吸测量和H 2 -D 2交换率评估的综合研究表明，Ru 2 P/C的多种特性对其高催化效率有显着贡献。这些特性包括其高H 2活化能力、有效形成亚胺中间体的酸性以及源自Ru-P键形成的整体效应的耐硫性。

  DOI：

  10.1021/acscatal.3c06179

文献信息

• [EN] SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY<br/>[FR] DIHYDROPYRIMIDINONES BICYCLIQUES SUBSTITUÉES ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE L'ACTIVITÉ ÉLASTASE DE NEUTROPHILES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014135414A1

  公开（公告）日：2014-09-12

  This invention relates to substituted bicyclic dihydropyrimidinones of formula (1) and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及式（1）的取代双环二氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。
• [EN] HEPATITIS C INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE L'HÉPATITE C
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013026163A1

  公开（公告）日：2013-02-28

  A compound of formula (I) useful for the treatment or prevention of hepatitis C viral infection, (Formula (I)) wherein: X1 and X2 are each independently CRB or N; RB is H, (C1-6)alkyl, (C1-6)haloalkyl, halo. -O-(C1-6)alkyl, NH2, NH(C1-6)alkyl or N((C1-6)alkyl)2; R1 and R2 are each independently (C1-6)alkyl optionally mono- or di-substituted with -O-(C1-6)alkyl, NH2, NH(C1-6)alkyl or N((C1-6)alkyl)2; or R1 and R2, together with the carbon to which they are attached, are linked to form a (C3-7)cycloalkyl group or a 3- to 7-membered heterocyclyl, said cycloalkyl and heterocyclyl being optionally mono- or di-substituted with -(C1-6)alkyl; RA is -C(=O)N(R3)(R4), -C(=O)O(R4), heterocyclyl or heteroaryl, wherein each said heterocyclyl and heteroaryl is optionally substituted 1 to 3 times with R41; R5 and R6 are each independently H or (C1-6)alkyl optionally mono- or di-substituted with -O-(C1-6)alkyl, NH2, NH(C1-6)alkyl or N((C1-6)alkyl)2; or R5 and R6, together with the carbon to which they are attached, are linked to form a (C3-7)cycloalkyl group or a 3- to 7-membered heterocyclyl, said cycloalkyl and heterocyclyl being optionally mono- or di-substituted with -(C1-6)alkyl; and n is 0, 1 or 2.

  一种化合物，其化学式为（I），用于治疗或预防丙型肝炎病毒感染，其中：X1和X2分别独立地为CRB或N；RB为H，（C1-6）烷基，（C1-6）卤代烷基，卤基，-O-（C1-6）烷基，NH2，NH（C1-6）烷基或N（（C1-6）烷基）2；R1和R2分别独立地为（C1-6）烷基，可选择地单取代或双取代为-O-（C1-6）烷基，NH2，NH（C1-6）烷基或N（（C1-6）烷基）2；或者R1和R2与它们连接的碳原子一起形成（C3-7）环烷基或3-至7-成员杂环烷基，所述环烷基和杂环烷基可选择地单取代或双取代为-（C1-6）烷基；RA为-C（=O）N（R3）（R4），-C（=O）O（R4），杂环烷基或杂芳基，其中每个所述杂环烷基和杂芳基可选择地用R41取代1至3次；R5和R6分别独立地为H或（C1-6）烷基，可选择地单取代或双取代为-O-（C1-6）烷基，NH2，NH（C1-6）烷基或N（（C1-6）烷基）2；或者R5和R6与它们连接的碳原子一起形成（C3-7）环烷基或3-至7-成员杂环烷基，所述环烷基和杂环烷基可选择地单取代或双取代为-（C1-6）烷基；n为0、1或2。
• [EN] 1-(DIHYDRONAPHTHALENYL)PYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS<br/>[FR] 1-(DIHYDRONAPHTALÉNYL)PYRIDONES EN TANT QU'ANTAGONISTES DU RÉCEPTEUR 1 DE L'HORMONE DE CONCENTRATION DE LA MÉLANINE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2013149362A1

  公开（公告）日：2013-10-10

  Provided are 1-(dihydronaphthalenyl)pyridones which are antagonists at the melanin-concentrating hormone receptor 1 (MCHR1), pharmaceutical compositions containing them, processes for their preparation, and their use in therapy for the treatment of obesity and diabetes.

  提供的是1-(二氢萘基)吡啶酮，它们是黑素浓集激素受体1（MCHR1）的拮抗剂，包含它们的药物组合物，它们的制备过程，以及它们在治疗肥胖和糖尿病方面的用途。
• [EN] PYRROLOTRIAZINONE DERIVATIVES AS PI3K INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLOTRIAZINONE EN TANT QU'INHIBITEURS DES PI3K
  申请人：ALMIRALL SA

  公开号：WO2014060431A1

  公开（公告）日：2014-04-24

  New pyrrolotriazinone derivatives having the chemical structure of formula (I) are disclosed; as well as process for their preparation, pharmaceutical compositions comprising them and their use in therapy as inhibitors of Phosphoinositide 3-Kinases (PI3Ks).

  披露了具有公式(I)化学结构的新型吡咯三嗪酮衍生物；以及它们的制备方法，包含它们的药物组合物以及它们作为磷脂酰肌醇3-激酶（PI3Ks）抑制剂在治疗中的用途。
• Substituted Bicyclic Dihydropyrimidinones And Their Use As Inhibitors Of Neutrophil Elastase Activity
  申请人：GNAMM Christian

  公开号：US20140249129A1

  公开（公告）日：2014-09-04

  This invention relates to substituted bicyclic dihydropyrimidinones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other autoimmune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及公式1的取代双环二氢嘧啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，包含这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的方法。