4-乙基噻唑-2-胺 | 34631-53-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-乙基噻唑-2-胺
• 英文名称: 2-amino-4-ethylthiazole
• 英文别名: 4-ethylthiazol-2-amine；4-ethyl-1,3-thiazol-2-amine
• CAS: 34631-53-3
• 化学式: C₅H₈N₂S
• mdl: MFCD13179620
• 分子量: 128.198
• InChiKey: JJDSGHBAXFTEHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  35 °C
• 沸点：
  118-120 °C
• 密度：
  1.195±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934100090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Amino-4-ethylthiazole
Synonyms: 4-Ethylthiazol-2-amine

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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: 2-Amino-4-ethylthiazole
CAS number: 34631-53-3

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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: C5H8N2S
Molecular weight: 128.2

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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

反应信息

• 作为反应物：
  描述：

  4-乙基噻唑-2-胺 在 溴 作用下， 以 aq. sulfuric acid 为溶剂， 生成 5-bromo-4-ethyl-thiazol-2-ylamine
  参考文献：
  名称：

  NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES

  摘要：

  式(I)的化合物以及其药用可接受的盐和酯，其中R1至R3具有权利要求1中给定的含义，并可用于制成药物组合物。

  公开号：

  US20090143448A1
• 作为产物：
  描述：

  4-ethyl-1,3-thiazol-2-amine hydrobromide 在 sodium hydroxide 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 4-乙基噻唑-2-胺
  参考文献：
  名称：

  Positive allosteric modulators of the nicotinic acetylcholine receptor

  摘要：

  这项发明提供了I式化合物： 这些化合物可以是药用盐或组合物的形式，可以是纯对映体形式或混合物，对治疗已知涉及α7 nAChR的疾病或症状的药物非常有用。

  公开号：

  US20030236287A1

文献信息

• Studies on Acetylenic Compounds. XXII. Ring Closure. (4). New Synthesis of Thiazoles and Imidazole.
  作者：Yasuo Yura

  DOI：10.1248/cpb.10.376

  日期：——

  It was found that the compounds having the general formula RCH(X)-C≡C-R'gave thiazole derivatives by reaction with thiourea. The relationship between the structure of thiazoles and substituent groups was clarified as follows : (1) When R=R'=Ph, 2-amino-4-benzyl-5-phenylthiazole (IId) is obtained, (2) When R=alkyl, R'=H, two kinds of thiazoles are obtained ; and (3) when R=R'=alkyl, thiazole derivative is not obtained. Similarly, propargyl bromide and phenylpropargyl bromide, when reacted with ammonium dithiocarbamate, afforded 2-mercapto-4-methylthiazole (XX) and 2-mercapto-4-benzylthiazole (XXIII), respectively. Further, 2-amino-4-methylimidazole (XXV) was obtained from guanidine and propargyl bromide.

  研究发现，具有通式RCH(X)-C≡C-R'的化合物在反应中与硫脲作用生成噻唑衍生物。噻唑结构和取代基之间的关系阐明如下：(1) 当R=R'=Ph时，获得2-氨基-4-苄基-5-苯基噻唑(IId)；(2) 当R=烷基，R'=H时，获得两种噻唑；(3) 当R=R'=烷基时，不生成噻唑衍生物。同样地，炔丙基溴和苯基炔丙基溴与氨荒酸盐反应，分别得到2-巯基-4-甲基噻唑(XX)和2-巯基-4-苄基噻唑(XXIII)。进一步地，从胍和炔丙基溴获得2-氨基-4-甲基咪唑(XXV)。
• 一种噻唑并[3,2-a]嘧啶酮衍生物及其药物组 合物和用途
  申请人：河北医科大学

  公开号：CN105348302B

  公开（公告）日：2017-08-25

  本发明公开了一种噻唑并[3,2‑a]嘧啶酮衍生物，该衍生物的化学通式如I或Ia所示，其通式I或Ia中的R1为氢、甲基、乙基或三氟甲基；R2为甲基或三氟甲基；R3为环戊烷、环己烷、哌啶或叔丁基，X为氧或硫，n为0，1或2；通式I中的Z为碳或氮。本发明还公开了一种药物组合物，以任意一种噻唑并[3,2‑a]嘧啶酮衍生物为活性成分，同时含有一种或多种药学上可以接受的载体。该类衍生物通过实验证明，其具有明显激活KCNQ通道电流，因此，该类衍生物能够在制备KCNQ钾通道开放剂中得到应用，可作为抗癫痫药物制剂的活性成分，可用于预防、抑制、缓解和治疗惊厥、癫痫发作、癫痫持续状态、癫痫综合症；作为缓解焦虑症状药物制剂以及缓解神经性疼痛药物制剂的活性成分。
• THIAZOLES: II. PREPARATION OF ALKYL-2-NITRAMINOTHIAZOLES
  作者：Sidney Kasman、Alfred Taurins

  DOI：10.1139/v56-164

  日期：1956.9.1

  1-Chloro-3-methyl-2-butanone and 2-amino-4-isopropylthiazole have been synthesized. The mononitration of 2-aminothiazole and five alkyl-2-aminothiazoles in the 2-amino group has been carried out with absolute nitric acid in concentrated sulphuric acid at low temperatures ranging from 0° to −10°. 2-Nitramino- and alkyl-2-nitramino-thiazoles are crystalline, stable compounds. The dinitration of some alkyl-2-aminothiazoles under the same conditions lead to the formation of alkyl-2-nitramino-5-nitrothiazoles. The rearrangement of 2-nitraminothiazole to 2-amino-5-nitrothiazole was studied in the presence of mesitylene for the first time.

  1-氯-3-甲基-2-丁酮和2-氨基-4-异丙基噻唑已经合成。在浓硫酸中，用绝对硝酸在0°至-10°的低温下对2-氨基噻唑和五种烷基-2-氨基噻唑的2-氨基基团进行了单硝化反应。2-硝基氨基和烷基-2-硝基氨基噻唑是结晶稳定的化合物。在相同条件下，对一些烷基-2-氨基噻唑进行二硝化反应会形成烷基-2-硝基氨基-5-硝基噻唑。首次在间二甲苯存在下研究了2-硝基氨基噻唑重排成2-氨基-5-硝基噻唑。
• Polycyclic dyes
  申请人：ZENECA LIMITED

  公开号：EP0574118A1

  公开（公告）日：1993-12-15

  A benzodifuranone dye carrying at least one thiazolyl group, the dye may be of Formula (3) or Formula (5): in which Ris -H or alkyl; Xis -H, alkyl or alkylcarbonyl; Ais a phenyl group which is unsubstituted by from one to three substituents or Ais a group of Formula (4): wherein: R¹is -H or alkyl; and X¹is -H, alkyl or alkylcarbonyl. The benzodifuranone dyes are useful for the coloration of synthetic textile material such as polyester.

  一种携带至少一个噻唑基团的苯二呋喃酮染料，该染料可以是化学式（3）或化学式（5）中的一种： 其中 R是-H或烷基； X是-H，烷基或烷基羰基； A是未被从一个到三个取代基取代的苯基团或 A是化学式（4）的基团： 其中： R¹是-H或烷基；和 X¹是-H，烷基或烷基羰基。 苯二呋喃酮染料对合成纺织材料如涤纶的着色是有用的。
• Synthesis of 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one derivatives
  作者：E. A. Veretennikov、A. V. Pavlov

  DOI：10.1134/s1070428013040143

  日期：2013.4

  The reaction of 2-aminothiazoles with ethyl acetoacetate in acetic or polyphosphoric acid gave a series of 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one derivatives which were nitrated with a mixture of nitric and sulfuric acid to 6-nitro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-ones, and the latter were reduced to the corresponding amines.

  2-氨基噻唑与乙酰乙酸乙酯在乙酸或多磷酸中的反应生成一系列5 H- [1,3]噻唑并[3,2 - a ]嘧啶-5-酮衍生物，将其用硝酸和硫酸的混合物进行硝化酸生成6-硝基-5 H- [1,3]噻唑并[3,2 - a ]嘧啶-5-酮，然后将后者还原为相应的胺。