2-甲基-2-丙基[4-(氯甲基)-1,3-噻唑-2-基]氨基甲酸酯 | 892952-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-甲基-2-丙基[4-(氯甲基)-1,3-噻唑-2-基]氨基甲酸酯
• 英文名称: tert-butyl (4-(chloromethyl)thiazol-2-yl)carbamate
• 英文别名: tert-butyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate
• CAS: 892952-70-4
• 化学式: C₉H₁₃ClN₂O₂S
• 分子量: 248.733
• InChiKey: NYMXQKNNEPFDPR-UHFFFAOYSA-N

物化性质

• 密度：
  1.317±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934100090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: tert-Butyl 4-(chloromethyl)thiazol-2-ylcarbamate
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: tert-Butyl 4-(chloromethyl)thiazol-2-ylcarbamate
CAS number: 892952-70-4

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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: C9H13ClN2O2S
Molecular weight: 248.7

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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-甲基-2-丙基[4-(氯甲基)-1,3-噻唑-2-基]氨基甲酸酯 、 丙烷-1-硫醇 在 caesium carbonate 、 sodium iodide 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 生成 tert-Butyl 4-(propylthiomethyl)thiazol-2-ylcarbamate
  参考文献：
  名称：

  [EN] ANTIBACTERIAL SULFONE AND SULFOXIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES D'URÉE ANTIBACTÉRIENS SUBSTITUÉS PAR DE LA SULFONE ET DU SULFOXYDE

  摘要：

  本发明提供了具有有用抗菌活性的新型磺酮和亚砜取代的杂环脲化合物。提供了将这些化合物用作药物组合物的方法和生产方法。

  公开号：

  WO2009015193A1
• 作为产物：
  描述：

  1,3-二氯丙酮 、 N-Boc-硫脲 在 水 、 碳酸氢钠 作用下， 以 丙酮 为溶剂， 反应 72.25h， 以68%的产率得到2-甲基-2-丙基[4-(氯甲基)-1,3-噻唑-2-基]氨基甲酸酯
  参考文献：
  名称：

  WO2008/11191

  摘要：

  公开号：

文献信息

• NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME
  申请人：Ryono Denis E.

  公开号：US20080009465A1

  公开（公告）日：2008-01-10

  Compounds are provided which are phosphonate and phosphinate activators and thus are useful in treating diabetes and related diseases and have the structure wherein is a heteroaryl ring; R 4 is —(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 ), —(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g , —(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g , —(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10 ), or —(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10 ); R 5 and R 6 are independently selected from H, alkyl and halogen; Y is R 7 (CH 2 ) s or is absent; and X, n, Z, m, R 4 , R 5 , R 6 , R 7 , and s are as defined herein; or a pharmaceutically acceptable salt thereof. A method for treating diabetes and related diseases employing the above compounds is also provided.

  提供了磷酸酯和磷酸酯激活剂，因此在治疗糖尿病和相关疾病方面非常有用，并具有以下结构： 其中 是杂环芳基环； R 4 为—(CH 2 ) n -Z-(CH 2 ) m —PO(OR 7 )(OR 8 )、—(CH 2 ) n Z-(CH 2 ) m —PO(OR 7 )R g 、—(CH 2 ) n -Z-(CH 2 ) m —OPO(OR 7 )R g 、—(CH 2 ) n Z—(CH 2 ) m —OPO(R 9 )(R 10) 或—(CH 2 ) n Z—(CH 2 ) m —PO(R 9 )(R 10) ； R 5 和R 6 分别选择自H、烷基和卤素； Y为R 7 (CH 2 ) s 或不存在；以及 X、n、Z、m、R 4 、R 5 、R 6 、R 7 和s如本文所定义；或其药用盐。 还提供了一种利用上述化合物治疗糖尿病和相关疾病的方法。
• [EN] GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME<br/>[FR] ACTIVATEURS DE GLUCOKINASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018017910A1

  公开（公告）日：2018-01-25

  A compound, enantiomer, prodrug, diastereomer, or salt is provided which is an activator of the enzyme glucokinase and thus is believed to be useful in treating diabetes and related diseases, which compound has the structure (I). A method for treating diabetes and related disease employing the compound, enantiomer, prodrug, diastereomer, or salt is also provided.

  提供一种化合物、对映体、前药、二对映体或盐，该化合物是葡萄糖激酶的激活剂，因此被认为在治疗糖尿病及相关疾病方面是有用的，该化合物具有结构（I）。还提供了一种利用该化合物、对映体、前药、二对映体或盐治疗糖尿病及相关疾病的方法。
• FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES
  申请人：Beier Christian

  公开号：US20100286173A1

  公开（公告）日：2010-11-11

  The present invention relates to hydroximoyl-tetrazole derivatives, their process of preparation, their use as fungicide active agents, particularly in the form of fungicide compositions, and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及羟肟基-四唑衍生物，它们的制备方法，它们作为杀菌剂活性剂的用途，特别是作为杀菌剂组合物的形式，并且利用这些化合物或组合物控制植物病原真菌的方法，尤其是植物的方法。
• [EN] PYRAZOLO-QUINAZOLINE DERIVATIVES AS CHOLINE KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLO-QUINAZOLINE UTILISÉS EN TANT QU'INHIBITEURS DE CHOLINE KINASE
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2019011715A1

  公开（公告）日：2019-01-17

  The present invention relates to substituted pyrazolo-quinazoline derivatives which modulate the activity of Choline Kinase (ChoK). The compounds of this invention are therefore useful in treating diseases caused by an altered choline metabolism, such as cancer, cell proliferative disorders, infectious diseases of different origin, immune- related disorders and neurodegenerative disorders. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions comprising these compounds.

  本发明涉及替代吡唑喹唑啉衍生物，其调节胆碱激酶（ChoK）的活性。因此，本发明的化合物在治疗由改变的胆碱代谢引起的疾病方面具有用途，如癌症、细胞增殖异常、不同起源的传染病、免疫相关疾病和神经退行性疾病。本发明还提供了制备这些化合物的方法、包含这些化合物的药物组合物以及利用包含这些化合物的药物组合物治疗疾病的方法。
• [EN] ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS<br/>[FR] COMPOSÉS URÉE HÉTÉROCYCLIQUES SUBSTITUÉS PAR AMIDE ET SULFONAMIDE ANTIBACTÉRIENS
  申请人：REPLIDYNE INC

  公开号：WO2009015208A1

  公开（公告）日：2009-01-29

  The present invention provides novel amide and sulfonamide substituted heterocyclic urea compounds having useful antibacterial activity. Use of these compounds as pharmaceutical compositions and method of their production are also provided.

  本发明提供了具有有用抗菌活性的新型酰胺和磺胺基取代的杂环脲化合物。同时还提供了将这些化合物用作药物组合物以及它们的生产方法。