2-氨基-4-氯噻唑-5-甲醛 | 76874-79-8

• 物质功能分类: 有机原料 - 杂环化合物
• 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-氨基-4-氯噻唑-5-甲醛
• 中文别名: 2-氨基-4-氯-5-噻唑甲醛
• 英文名称: 2-amino-4-chlorothiazole-5-carbaldehyde
• 英文别名: 2-amino-4-chloro-5-formylthiazole；2-amino-4-chloro-5-formyl-1,3-thiazole；2-amino-4-chloro-1,3-thiazole-5-carbaldehyde
• CAS: 76874-79-8
• 化学式: C₄H₃ClN₂OS
• mdl: MFCD00204993
• 分子量: 162.6
• InChiKey: KJRBYUWRYRRPKN-UHFFFAOYSA-N

物化性质

• 沸点：
  341.3±22.0 °C(Predicted)
• 密度：
  1.658±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2934100090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 2-Amino-4-chlorothiazole-5-carbaldehyde
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 2-Amino-4-chlorothiazole-5-carbaldehyde
CAS number: 76874-79-8

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C4H3ClN2OS
Molecular weight: 162.6

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二碳酸二叔丁酯 、 2-氨基-4-氯噻唑-5-甲醛 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以14.42 g的产率得到2-甲基-2-丙基(4-氯-5-甲酰基-1,3-噻唑-2-基)氨基甲酸酯
  参考文献：
  名称：

  四甲基氟化铵四水合氟化物，用于4-氯噻唑的S N Ar氟化生产规模

  摘要：

  本文介绍了使用四水合四甲基氟化铵（TMAF·4H 2 O）大规模制备具有挑战性的4-氟噻唑。大规模采购可商购的TMAF·4H 2 O，并先在异丙醇中蒸馏，然后在高温下用二甲基甲酰胺蒸馏，将其严格干燥。该干燥方法提供了包含＜0.2重量％的水和＜60ppm的异丙醇的无水TMAF [TMAF（anh）]。TMAF（anh）的使用对于生产4-氟噻唑至关重要。当氯噻唑起始原料用其他无水氟化物源处理时，观察到起始原料转化率低或潜在的安全问题。使用干燥的TMAF·4H 2进行S N Ar氟化O在95–100°C下以45.1 kg的比例进行氧化，生成36.8 kg的4-氟噻唑1b。

  DOI：

  10.1021/acs.oprd.1c00042
• 作为产物：
  描述：

  phosphorus (III) oxychloride 、 2-氨基-4,5-二氢-1,3-噻唑-4-酮盐酸盐 在 sodium acetate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-氨基-4-氯噻唑-5-甲醛
  参考文献：
  名称：

  Azo compounds having a 5-substituted-4-chlorothiazolyl-2-diazo component

  摘要：

  式为##STR1##的化合物，其中K是苯胺，α-萘胺，吡唑酮，氨基吡唑，吲哚，四氢喹啉，噻唑，苯酚，萘酚，吡啶或吡啶酮系列偶联组分的基团。R是--CHO，--CH.dbd.C（CN）--R.sub.1，--CH.dbd.CH--R.sub.2，--CH.dbd.C（NO.sub.2）--R.sub.3，--CH.dbd.NOH或--CN，其中R.sub.1是（C.sub.1-10烷氧羰基；（C.sub.1-10烷氧）羰基单取代为氯，溴，氰，羟基，C.sub.1-2烷氧，（C.sub.1-2烷基）羰酰氧或（C.sub.1-2烷氧）羰基；（C.sub.1-10烷氧）羰基双取代为羟基和氯或溴；（C.sub.3-8烯基）氧羰基；（C.sub.3-8氯代烯基）氧羰基；（C.sub.3-8溴代烯基）氧羰基；丙炔氧羰基；苄氧羰基；氯苄氧羰基；硝基苄氧羰基；C.sub.1-4烷基磺酰基；苯基磺酰基；甲苯基磺酰基；氨基甲酰基；（C.sub.1-2烷基）氨基甲酰基；二（C.sub.1-2烷基）氨基甲酰基；苯基氨基硫酰基；苯并咪唑基-2；氰基；乙酰基；苯基；苯甲酰基或苯基或苯甲酰基，其1，2或3个取代基各自独立地为氯，溴或硝基，最多只有两个硝基的限制，其中R.sub.2是苯基；苯甲酰基或苯基或苯甲酰基，其1，2或3个取代基各自独立地为氯，溴或硝基，最多只有两个硝基的限制，R.sub.3是氢，甲基或乙基，m为0或1，用作分散染料，用于染色和印刷由合成或半合成，亲水性，高分子量，有机材料制成或组成的纺织基材，如线性芳香族聚酯，纤维素21/2醋酸盐，纤维素三醋酸盐和合成聚酰胺，其中R为甲酰基也用于染色羊毛。

  公开号：

  US04505857A1

文献信息

• Pyrazolopyrimidines as therapeutic agents
  申请人：Abbott Laboratories

  公开号：US20020156081A1

  公开（公告）日：2002-10-24

  The present invention provides compounds of Formula I, 1 including pharmaceutically acceptable salts and/or prodrugs thereof, where G, R 2 , and R 3 are defined as described herein.

  本发明提供了公式I的化合物，包括其药学上可接受的盐和/或前药，其中G、R2和R3的定义如本文所述。
• Second-Order Optical Nonlinearity of In Situ Prepared Polyurethanes Having Thiazolylazo Chromophores
  作者：Masaki Matsui、Mitsugu Kushida、Kazumasa Funabiki、Hiroshige Muramatsu、Katsuyoshi Shibata、Kazuo Hirota、Masahiro Hosoda、Kazuo Tai

  DOI：10.1246/bcsj.72.127

  日期：1999.1

  The in situ prepared polyurethane films of the thiazolylazo NLOphores showed d33values of 38—49 pm V−1. The temporal stability of the poled NLOphore was in the following order of the polymers: network > side chain > main chain.

  现场制备的噻唑基偶氮非线性光学基团聚氨酯薄膜显示出 d33 值为 38—49 pm V−1。极化非线性光学基团的时间稳定性按以下聚合物顺序递减：网络结构 > 侧链结构 > 主链结构。
• [EN] COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS ET LEURS UTILISATIONS
  申请人：YUMANITY THERAPEUTICS INC

  公开号：WO2020198026A1

  公开（公告）日：2020-10-01

  The present invention features compounds useful in the treatment of neurological disorders and primary brain cancer. The compounds of the invention, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological disorders and primary brain cancer.

  本发明涉及对神经系统疾病和原发性脑癌治疗中有用的化合物。本发明的化合物，单独或与其他药用活性剂结合使用，可用于治疗或预防神经系统疾病和原发性脑癌。
• Compounds and methods for kinase modulation, and indications therefor
  申请人：Plexxikon Inc.

  公开号：US09096593B2

  公开（公告）日：2015-08-04

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, or forms thereof are active on Fms protein kinase, or on Fms and Kit protein kinase, or on Fms and Flt-3 protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Fms protein kinase, Kit protein kinase, or Flt-3 protein kinase including rheumatoid arthritis, osteoarthritis, multiple sclerosis, Alzheimer's disease, Parkinson's disease, glomerulonephritis, interstitial nephritis, Lupus nephritis, tubular necrosis, diabetic nephropathy, renal hypertrophy, acute myeloid leukemia, melanoma, multiple myeloma, metastatic breast cancer, prostate cancer, pancreatic cancer, neurofibromatosis, brain metastases, and gastrointestinal stromal tumors.

  描述了化合物及其盐，制剂，共轭物，衍生物，形式和用途。在某些方面和实施方式中，所述的化合物或其盐，制剂，共轭物，衍生物或形式对Fms蛋白激酶，或对Fms和Kit蛋白激酶，或对Fms和Flt-3蛋白激酶具有活性。还描述了使用方法，用于治疗与Fms蛋白激酶，Kit蛋白激酶或Flt-3蛋白激酶活性相关的疾病和状况，包括类风湿性关节炎，骨关节炎，多发性硬化症，阿尔茨海默病，帕金森病，肾小球肾炎，间质性肾炎，狼疮性肾炎，小管坏死，糖尿病肾病，肾肥大，急性髓性白血病，黑色素瘤，多发性骨髓瘤，转移性乳腺癌，前列腺癌，胰腺癌，神经纤维瘤病，脑转移和胃肠间质瘤。
• [EN] DISPERSE DYES<br/>[FR] COLORANTS DE DISPERSION
  申请人：CLARIANT INT LTD

  公开号：WO2005056690A1

  公开（公告）日：2005-06-23

  Disperse dyes of the general formula (I) where D is a diazo component derived from a substituted or unsubstituted aromatic amine, K is an aromatic radical of the formula (K1), (K2) oder (K3) and the substituents are each as defined in the first claim. Further described are the preparation and the use of the dyes according to the invention.

  一般公式（I）的分散染料，其中D是由取代或未取代的芳香胺衍生的重氮组分，K是公式（K1）、（K2）或（K3）的芳香基团，且取代基如第一权利要求中所定义。进一步描述了根据本发明的染料的制备和使用。