5-溴-2-氯苯甲酰胺 | 188774-55-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-溴-2-氯苯甲酰胺
• 英文名称: 5-bromo-2-chlorobenzamide
• CAS: 188774-55-2
• 化学式: C₇H₅BrClNO
• mdl: MFCD00482914
• 分子量: 234.48
• InChiKey: UZELTISECDSPNW-UHFFFAOYSA-N

物化性质

• 沸点：
  283.4±30.0 °C(Predicted)
• 密度：
  1.720±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 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：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-chlorobenzamide
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: 5-Bromo-2-chlorobenzamide
CAS number: 188774-55-2

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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: C7H5BrClNO
Molecular weight: 234.5

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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, hydrogen bromide.

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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：

  5-溴-2-氯苯甲酰胺 在 硼烷 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 methyl N-[(5-bromo-2-chlorophenyl)methyl]carbamate
  参考文献：
  名称：

  [EN] STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI
  [FR] COMPOSÉS DE TYPE STROBILURINE POUR LUTTER CONTRE LES CHAMPIGNONS PATHOGÈNES

  摘要：

  本发明涉及新型的苯酚基甲酰草酰胺类化合物I，以及制备这些化合物的方法，化合物I及/或其在农业上有用的盐用于控制植物病原真菌，至少包含一种这样的化合物的组合物，植物健康应用，以及至少包含一种这样的化合物的种子。

  公开号：

  WO2014202703A1
• 作为产物：
  描述：

  5-溴-2-氯苯甲酰氯 在 氨 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 10.0h， 以41 g的产率得到5-溴-2-氯苯甲酰胺
  参考文献：
  名称：

  [EN] STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI
  [FR] COMPOSÉS DE TYPE STROBILURINE POUR LUTTER CONTRE LES CHAMPIGNONS PATHOGÈNES

  摘要：

  本发明涉及新型的苯酚基甲酰草酰胺类化合物I，以及制备这些化合物的方法，化合物I及/或其在农业上有用的盐用于控制植物病原真菌，至少包含一种这样的化合物的组合物，植物健康应用，以及至少包含一种这样的化合物的种子。

  公开号：

  WO2014202703A1

文献信息

• [EN] SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR<br/>[FR] LIGANDS SÉLECTIFS DU RÉCEPTEUR D'ANDROSTANE CONSTITUTIF HUMAIN
  申请人：USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I

  公开号：WO2020221380A1

  公开（公告）日：2020-11-05

  The present invention provides a structurally novel class of heterocyclic compounds of general formula I wherein L1 is heteroaryl and L2 is heteroaryl or aryl. The novel compounds are useful in a method of prevention or treatment of a condition which is mediated by the action, or by loss of action, of Constitutive androstane receptor (CAR) receptor or its endogenous ligands. The present invention thus provides the novel compounds for medicinal use, as well as pharmaceutical composition containing said compounds. (I)

  本发明提供了一类结构新颖的杂环化合物，其通用公式为I，其中L1是杂芳基，L2是杂芳基或芳基。这些新颖化合物在预防或治疗由构成雄烷受体（CAR）受体或其内源性配体的作用或作用丧失介导的疾病的方法中是有用的。因此，本发明提供了用于药用的新颖化合物，以及含有所述化合物的药物组合物。(I)
• NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110281865A1

  公开（公告）日：2011-11-17

  The present invention provides, inter alia, compounds of formula I as protein kinase modulators, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of kinase mediated diseases or disorders with them.

  本发明提供了一种公式I的化合物作为蛋白激酶调节剂，以及它们的制备方法、含有它们的药物组合物，以及利用它们治疗、预防和/或改善激酶介导的疾病或紊乱的方法。
• Efficient conversion of acids and esters to amides and transamidation of primary amides using OSU-6
  作者：Baskar Nammalwar、Nagendra Prasad Muddala、Field M. Watts、Richard A. Bunce

  DOI：10.1016/j.tet.2015.10.016

  日期：2015.12

  with strong Bronsted acid properties, has been used to promote the high-yield conversion of carboxylic acids and esters to carboxamides as well as transamidations of primary amides in a one-pot solventless approach. A metal-free heterogeneous catalyst that promotes all of these processes has not been previously reported. OSU-6 enables these transformations to proceed in shorter times and at lower temperatures

  OSU-6，具有强布朗斯台德酸性质的MCM-41型六角孔二氧化硅，已被用来促进的羧酸和酯的高产转化为羧酰胺，以及在单罐无溶剂方法伯酰胺的transamidations。先前尚未报道可促进所有这些过程的无金属非均相催化剂。OSU-6使这些转化能够在更短的时间和更低的温度下针对多种基材进行。一个附加的好处是，该催化剂可以回收和不活动的显著损失重复使用多次。
• Discovery of 6-benzamide Containing 4-phenylquinazoline Derivatives as Novel PI3Kδ Inhibitors
  作者：Minhang Xin、Yuan-Yuan Hei、Hao Zhang、Xiao-Xiao Xie、Shuai Mao、Sai-Jie Zuo、San-Qi Zhang

  DOI：10.2174/1570180813666160720160523

  日期：2016.12.21

  In the present study, a series of new 6-benzamide containing 4-phenylquinazoline derivatives were designed and synthesized as PI3Kδ inhibitors. The preliminary SAR for this series of compounds was established. PI3Kδ inhibitory assay showed that most of the synthesized compounds achieved significant activity against PI3Kδ. Compound 12h was the most potent PI3Kδ inhibitor, displaying an IC50 value of

  在本研究中，设计并合成了一系列新型的含有4-苯基喹唑啉的6-苯甲酰胺衍生物作为PI3Kδ抑制剂。建立了该系列化合物的初步SAR。PI3Kδ抑制试验表明，大多数合成的化合物均具有显着的抗PI3Kδ活性。化合物12h是最有效的PI3Kδ抑制剂，IC 50值为17 nM。这些结果表明，含有6-苯甲酰胺的4-苯基喹唑啉是一种令人鼓舞的化学亚结构，值得进一步的结构探索，以鉴定出新型且高效的PI3Kδ抑制剂。
• 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS
  申请人：HARRIS J. Keith

  公开号：US20070265278A1

  公开（公告）日：2007-11-15

  The present invention is directed to a compound of Formula (XVI): (please replace Formula (I) with Formula (XVI) as shown below) wherein R, R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and n are as defined herein, or a pharmaceutically acceptable salt, hydrate, or solvate thereof, a pharmaceutically acceptable prodrug thereof, or a pharmaceutically acceptable salt, hydrate or solvate of the prodrug, a pharmaceutical composition comprising a pharmaceutically effective amount of one or more compounds according to Formula (XVI) in admixture with a pharmaceutically acceptable carrier, a method of treating a patient suffering from a PGD2-mediated disorder including, but not limited to, allergic disease (such as allergic rhinitis, allergic conjunctivitis, atopic dermatitis, bronchial asthma and food allergy), systemic mastocytosis, disorders accompanied by systemic mast cell activation, anaphylaxis shock, bronchoconstriction, bronchitis, urticaria, eczema, diseases accompanied by itch (such as atopic dermatitis and urticaria), diseases (such as cataract, retinal detachment, inflammation, infection and sleeping disorders) which are generated secondarily as a result of behavior accompanied by itch (such as scratching and beating), inflammation, chronic obstructive pulmonary diseases, ischemic reperfusion injury, cerebrovascular accident, chronic rheumatoid arthritis, pleurisy, ulcerative colitis and the like by administering to said patient a pharmaceutically effective amount of a compound according to Formula (XVI).

  本发明涉及一种化合物，其化学式为（XVI），其中R、R2、R3、R4、R5、R6、R7和n如本文所定义，或其药学上可接受的盐、水合物或溶剂化物，其药学上可接受的前药，或其药学上可接受的前药的盐、水合物或溶剂化物，以及一种制剂，其中该制剂包含一种或多种符合化学式（XVI）的化合物的药学有效量，与药学上可接受的载体混合，一种治疗患有PGD2介导的疾病的患者的方法，包括但不限于，过敏性疾病（如过敏性鼻炎、过敏性结膜炎、特应性皮炎、支气管哮喘和食物过敏）、全身性肥大细胞增多症、伴随全身性肥大细胞活化的疾病、过敏性休克、支气管收缩、支气管炎、荨麻疹、湿疹、伴随瘙痒的疾病（如特应性皮炎和荨麻疹）、疾病（如白内障、视网膜脱离、炎症、感染和睡眠障碍），这些疾病是由于瘙痒所伴随的行为（如搔抓和打击）引起的，炎症、慢性阻塞性肺疾病、缺血再灌注损伤、脑血管意外、慢性类风湿性关节炎、胸膜炎、溃疡性结肠炎等，通过向该患者投与符合化学式（XVI）的化合物的药学有效量。