2-氯噻唑-4-乙酸乙酯 | 464185-24-8

• 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-氯噻唑-4-乙酸乙酯
• 中文别名: (2-氯-噻唑-4-基)-乙酸
• 英文名称: ethyl 2-(2-chlorothiazol-4-yl)acetate
• 英文别名: (2-chloro-4-thiazolyl)ethyl acetate；ethyl (2-chloro-4-thiazolyl)acetate；Ethyl 2-chlorothiazole-4-acetate；ethyl 2-(2-chloro-1,3-thiazol-4-yl)acetate
• CAS: 464185-24-8
• 化学式: C₇H₈ClNO₂S
• 分子量: 205.665
• InChiKey: GNTXHMCYDPZYQU-UHFFFAOYSA-N

物化性质

• 沸点：
  297.0±32.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  67.4
• 氢给体数：
  0
• 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: Ethyl 2-chlorothiazole-4-acetate
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: Ethyl 2-chlorothiazole-4-acetate
CAS number: 464185-24-8

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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: C7H8ClNO2S
Molecular weight: 205.7

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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-氯噻唑-4-乙酸乙酯 在 lithium aluminium tetrahydride 、 四溴化碳 、 对甲苯磺酸 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 乙腈 为溶剂， 反应 27.0h， 生成
  参考文献：
  名称：

  In vitroandin silicodetermination of glutaminyl cyclase inhibitors

  摘要：

  合理设计新的hQC抑制剂。

  DOI：

  10.1039/c9ra05763c
• 作为产物：
  描述：

  2-氨基-4-噻唑乙酸乙酯 在 copper dichloride 、 亚硝酸异戊酯 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 2-氯噻唑-4-乙酸乙酯
  参考文献：
  名称：

  In vitroandin silicodetermination of glutaminyl cyclase inhibitors

  摘要：

  合理设计新的hQC抑制剂。

  DOI：

  10.1039/c9ra05763c

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS
  申请人：ATOBE Masakazu

  公开号：US20100029690A1

  公开（公告）日：2010-02-04

  Nitrogen-containing heterocyclic compounds represented by the following Formula (1) are provided. The compounds or salts thereof have a strong EP1 antagonistic activity when they are administered to a human or an animal, and they are useful as an effective component of a pharmaceutical agent for prophylaxis and/or treatment of an overactive bladder, for example. Furthermore, they are useful as an effective component of a pharmaceutical agent for the prophylaxis and/or treatment of symptoms including frequent urination, urinary urgency and urinary incontinence.

  提供以下式（1）所代表的含氮杂环化合物。当这些化合物或其盐被给予人类或动物时，它们具有强烈的EP1拮抗活性，并且它们作为预防或治疗过度活动膀胱的药物的有效成分是有用的，例如。此外，它们作为预防或治疗包括频繁排尿、尿急和尿失禁等症状的药物的有效成分是有用的。
• [EN] ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS D'ECTONUCLÉOTIDASES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CALITHERA BIOSCIENCES INC

  公开号：WO2020257429A1

  公开（公告）日：2020-12-24

  The invention relates to novel heterocyclic compounds and pharmaceutical preparations thereof. The invention further relates to methods of treating or preventing cancer using the novel heterocyclic compounds of the invention.

  这项发明涉及新颖的杂环化合物及其药物制剂。该发明还涉及使用该发明的新颖杂环化合物治疗或预防癌症的方法。
• Cephalosporins, their preparation and formulations
  申请人：ELI LILLY AND COMPANY

  公开号：EP0211526A2

  公开（公告）日：1987-02-25

  7p-Heterocyclicacetylamino-(and 7β-heterocyclic- thioacetamido)-3-chloro-3-cephem-4-carboxylic acids or pharmaceutically acceptable salts thereof (e.g., 7β-[2-(2-aminothiazol-4-yl)acetamido]-3-chloro-3-cephem-4-carboxylic acid and salts thereof) exhibit surprising peroral bioavailability and are useful for treating infections in a warm-blooded animal. The have the formula in which R is a 5-membered nitrogen-containing heterocyclic ring of the formulae or Y is S or a bond; in which in the above formulae Z is O, S, or N and R' is hydrogen, hydroxy, halo, amino, C1-C4 alkanoylamino, C1-C4 alkylamino, di-(C1-C4 alkyllamino, C1-C4 alkylsulfonylamino, C1-C4 alkanoyloxy, C1-C4 alkoxy, C1-C4 alkylsulfonyloxy, C1-C4 alkyl, phenyl, or trihalomethyl; R1 is hydrogen, methoxy, or formamido; or a pharmaceutically acceptable salt thereof.

  7p-杂环乙酰氨基-（和 7β-杂环-硫代乙酰氨基）-3-氯-3-头孢-4-羧酸或其药学上可接受的盐（例如，7β-[2-（2-氨基噻唑-4-基）乙酰氨基]-3-氯-3-头孢-4-羧酸及其盐）具有惊人的口服生物利用度，可用于治疗温血动物的感染。它们的化学式为 其中 R 是式中的 5 元含氮杂环 或 Y 是 S 或键； 其中上式中 Z 是 O、S 或 N，R'是氢、羟基、卤代、氨基、C1-C4 烷酰氨基、C1-C4 烷基氨基、二（C1-C4 烷基氨基、C1-C4 烷基磺酰氨基、C1-C4 烷酰氧基、C1-C4 烷氧基、C1-C4 烷基磺酰氧基、C1-C4 烷基、苯基或三卤甲基； R1 是氢、甲氧基或甲酰胺基；或其药学上可接受的盐。
• EP1394154
  申请人：——

  公开号：——

  公开（公告）日：——
• ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF
  申请人：Calithera Biosciences, Inc.

  公开号：EP3986894A1

  公开（公告）日：2022-04-27