4,6-二甲基-(9ci)-2-氨基苯并噻唑 | 64036-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: 4,6-二甲基-(9ci)-2-氨基苯并噻唑
• 中文别名: 4,6-二甲基-2-氨基苯并噻唑
• 英文名称: 2-amino-4,6-dimethylbenzothiazole
• 英文别名: 4,6-dimethylbenzo[d]thiazol-2-amine；4,6-dimethyl-1,3-benzothiazol-2-amine
• CAS: 64036-71-1
• 化学式: C₉H₁₀N₂S
• mdl: MFCD00659246
• 分子量: 178.258
• InChiKey: JJNKKYPHNWIYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090
• 储存条件：
  储存条件：2-8℃，干燥处，密封保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4,6-Dimethyl-benzothiazol-2-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: 4,6-Dimethyl-benzothiazol-2-ylamine
CAS number: 64036-71-1

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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.
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: C9H10N2S
Molecular weight: 178.3

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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：

  4,6-二甲基-(9ci)-2-氨基苯并噻唑 在 水 作用下， 生成 2-氨基-3,5-二甲基苯硫醇
  参考文献：
  名称：

  一些新型 4H-1、4-苯并噻嗪及其砜衍生物的合成、表征和体外抗菌评估

  摘要：

  摘要 近年来，新型 4H-1,4-苯并噻嗪及其砜衍生物的合成和生物学评价因其药用和工业重要性而获得发展。我们的研究集中在新抗菌剂的设计和合成上，为此目的合成了一系列新型 4H-1,4-苯并噻嗪及其砜衍生物，并对具有代表性的革兰氏菌群进行了体外抗菌评估。阳性和革兰氏阴性细菌菌株和选定的真菌物种。报道的 4H-1,4-苯并噻嗪是通过缩合然后将取代的 2-氨基苯硫醇与含有活性亚甲基的化合物氧化环化来制备的。据信反应是通过烯氨基酮系统的中介进行的。砜衍生物是通过在冰醋酸中使用 30% 过氧化氢氧化 4H-1,4-苯并噻嗪来合成的。通过光谱和元素研究进行结构测定。

  DOI：

  10.1515/hc-2012-0163
• 作为产物：
  描述：

  2,4-二甲基苯基硫脲 在 溴 、 氨 作用下， 以 氯仿 、 水 为溶剂， 生成 4,6-二甲基-(9ci)-2-氨基苯并噻唑
  参考文献：
  名称：

  Synthesis and antimicrobial activity of 2H-pyrimido[2,1-b]benzothiazol-2-ones

  摘要：

  4-苯基-2H-嘧啶并[2,1-b]苯并噻唑-2-酮通过2-氨基苯并噻唑与炔酸反应，在定量产率下合成。合成化合物对细菌种类的抗菌活性进行了测试，包括凝固芽孢杆菌、枯草芽孢杆菌、金黄色葡萄球菌和铜绿假单胞菌。合成化合物显示出对微生物具有显著的活性，这可以与其融合的杂环系统相关联。

  DOI：

  10.1007/s11164-010-0211-9

文献信息

• Synthesis of 3,3,3-trifluoroethyl isocyanate, carbamate and ureas. Anticancer activity evaluation of N-(3,3,3-trifluoroethyl)-N′-substituted ureas
  作者：Elena L. Luzina、Anatoliy V. Popov

  DOI：10.1016/j.jfluchem.2015.06.005

  日期：2015.8

  isocyanate from perfluoroisobutene (PFIB). Isocyanate was used for synthesis of carbamates and ureas. A series of trifluoroethyl-substituted ureas has been tested in the National Cancer Institute (NCI, Bethesda, USA) by the NCI-60 DTP Human Tumor Cell Line Screening Program at a single high dose (10−5 M). The moderate anticancer activity was shown against some types of cancer on the individual human cell

  描述了一种由全氟异丁烯（PFIB）生产3,3,3-三氟乙基异氰酸酯的新方法。异氰酸酯用于合成氨基甲酸酯和脲。美国国家癌症研究所（NCI，Bethesda，USA）已通过NCI-60 DTP人肿瘤细胞系筛选计划以单一高剂量（10 -5  M）测试了一系列三氟乙基取代的脲。在白血病，非小细胞肺癌和肾癌的单个人细胞系上显示出对某些类型癌症的中等抗癌活性。
• 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체 및 이의 용도
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR20200076655A

  公开（公告）日：2020-06-29

  본 발명은 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체(hydrazone derivatives) 및 이의 용도에 관한 것이다.

  这项发明涉及末端氨基被芳基或杂芳基取代的新的腙衍生物(hydrazone derivatives)及其用途。
• A convenient route for synthesis and antimicrobial evaluation of bis (diimino benzothiazolo pyrimido pyrimidines)
  作者：Balasaheb D Kalyankar、Prashant N Ubale、Sambhaji P Vartale

  DOI：10.13005/ojc/300448

  日期：2014.12.31

  Guanidine hydrochloride (1) on treatment with bis(methylthio)methylene malonitrile (2) in N,N-dimethyl formamide (DMF) and  catalytic amount of anhydrous potassium carbonate gives diimino pyrimido pyrimidine (3). The later were further reacted with various substituted 2-amino benzothiazoles (4) to gives bis (diimino benzothiazolo pyrimido pyrimidines) (5a-g). All these synthesized compounds were screened for their antimicrobial activity.

  盐酸胍（1）在无水碳酸钾的催化下，与双(甲硫基)亚甲基丙二腰（2）在N,N-二甲基甲酰胺（DMF）中反应生成二亚氨基嘧啶并嘧啶（3）。后者进一步与各种取代的2-氨基苯并噻唑（4）反应，得到双（二亚氨基苯并噻唑嘧啶并嘧啶）（5a-g）。所有这些合成的化合物都经过抗微生物活性筛选。
• Design and synthesis of new derivatives of 3H-quinazolin-4-one as potential anticonvulsant agents
  作者：Uma Kabra、Chandrabhan Chopde、Sudhir Wadodkar

  DOI：10.1002/jhet.754

  日期：2011.11

  As a part of systematic investigation on synthesis and biological activities, some new derivatives of 2‐ethyl‐3‐(substituted benzothiazole‐2′‐yl)–[3H]‐quinazolin‐4‐ones 3 have been synthesized, and the structures of the compounds were confirmed by elemental analysis and spectral data. The newly synthesized derivatives are then screened for anticonvulsant activity by maximal electroshock method. J.

  作为合成和生物活性系统的调查的一部分，一些新的衍生物2-乙基-3-（取代的苯并噻唑-2'-基） - [3 H ^ ] -喹唑啉-4-酮3已被合成，并且这些结构化合物的分析通过元素分析和光谱数据证实。然后通过最大电击法筛选新合成的衍生物的抗惊厥活性。J.杂环化​​学。（2011）。
• Novel 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indole compounds
  申请人：——

  公开号：US20020002161A1

  公开（公告）日：2002-01-03

  Certain 2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]indoles are 5-HT ligands and are useful for treating diseases wherein modulation of 5-HT activity is desired.

  某些2,3,4,5-四氢-1H-[1,4]二氮杂丁[1,7-a]吲哚化合物是5-HT受体配体，并且可用于治疗需要调节5-HT活性的疾病。