(1-(4-溴苯基)环丙基)甲醇 | 98480-31-0

• 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: (1-(4-溴苯基)环丙基)甲醇
• 英文名称: (1-(4-bromophenyl)cyclopropyl)methanol
• 英文别名: [1-(4-bromophenyl)cyclopropyl]methanol
• CAS: 98480-31-0
• 化学式: C₁₀H₁₁BrO
• 分子量: 227.101
• InChiKey: CRMJCMNWILCLLN-UHFFFAOYSA-N

物化性质

• 沸点：
  296.8±23.0 °C(Predicted)
• 密度：
  1.507±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2906299090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (1-(4-Bromophenyl)cyclopropyl)methanol
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: (1-(4-Bromophenyl)cyclopropyl)methanol
CAS number: 98480-31-0

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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: C10H11BrO
Molecular weight: 227.1

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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, 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：

  (1-(4-溴苯基)环丙基)甲醇 在 三乙胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 [1-(4-bromophenyl)cyclopropyl]acetic acid
  参考文献：
  名称：

  LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

  摘要：

  提供的是化合物、制造这些化合物的方法、包含这些化合物的药物组合物和药品，以及使用这些化合物来治疗、预防或诊断与一个或多个溶血磷脂酸受体相关的疾病、失调或状况的方法。

  公开号：

  US20140200215A1
• 作为产物：
  描述：

  1-苯基-1-环丙羧酸 在 lithium aluminium tetrahydride 、 氯化亚砜 、 溴 、 sodium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 51.25h， 生成 (1-(4-溴苯基)环丙基)甲醇
  参考文献：
  名称：

  [EN] SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY
  [FR] DÉRIVÉS D'OXINDOLE SPIRO-SUBSTITUÉS AYANT UNE ACTIVITÉ SUR AMPK

  摘要：

  本发明涉及具有有价值的药理特性的式(I)化合物，特别是AMPK激活剂，因此在治疗某些可以通过激活该受体预防或治疗的疾病方面具有用处。这些化合物适用于治疗和预防可以受该受体影响的疾病，如代谢性疾病，特别是2型糖尿病。

  公开号：

  WO2014202580A1

文献信息

• [EN] NOVEL IMIDAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZOLE
  申请人：TAISHO PHARMA CO LTD

  公开号：WO2018216822A1

  公开（公告）日：2018-11-29

  Provided are novel compounds represented by the following general formula [1] or pharmaceutically acceptable salts thereof, that inhibit LpxC, as well as pharmaceutical drugs comprising those compounds or pharmaceutically acceptable salts thereof, that exhibit antimicrobial activity against gram-negative bacteria including multi-drug resistant strains and that are useful in the treatment of bacterial infections.

  提供了由以下一般式[1]表示的新化合物或其药用盐，其抑制LpxC，以及包含这些化合物或其药用盐的药物，对革兰氏阴性细菌包括多药耐药菌株表现出抗微生物活性，并且在治疗细菌感染中有用。
• NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS
  申请人：BOOKSER BRETT C.

  公开号：US20100081643A1

  公开（公告）日：2010-04-01

  Novel compounds of the structural formula (I) are activators of AMP-protein kinase and are useful in the treatment, prevention and suppression of diseases mediated by the AMPK-activated protein kinase. The compounds of the present invention are useful in the treatment of Type 2 diabetes, hyperglycemia, metabolic syndrome, obesity, hypercholesterolemia, and hypertension.

  结构式（I）的新化合物是AMP-蛋白激酶的激活剂，并且在治疗、预防和抑制由AMPK激活的蛋白激酶介导的疾病方面非常有用。本发明的化合物在治疗2型糖尿病、高血糖、代谢综合征、肥胖、高胆固醇血症和高血压方面非常有用。
• [EN] NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS<br/>[FR] NOUVEAUX DÉRIVÉS DE BENZIMIDAZOLE CYCLIQUES UTILES COMME AGENTS ANTI-DIABÉTIQUES
  申请人：MERCK SHARP & DOHME

  公开号：WO2010047982A1

  公开（公告）日：2010-04-29

  Novel compounds of the structural formula (I) are activators of AMP-protein kinase and are useful in the treatment, prevention and suppression of diseases mediated by the AMPK-activated protein kinase. The compounds of the present invention are useful in the treatment of Type 2 diabetes, hyperglycemia, Metabolic Syndrome, obesity, hypercholesterolemia, and hypertension.

  结构式（I）的新化合物是AMP-蛋白激酶的激活剂，并且在治疗、预防和抑制由AMPK激活的蛋白激酶介导的疾病方面非常有用。本发明的化合物在治疗2型糖尿病、高血糖、代谢综合征、肥胖、高胆固醇血症和高血压方面非常有用。
• [EN] CATHEPSIN CYSTEINE PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE CATHEPSINE ET DE CYSTEINE PROTEASE
  申请人：MERCK FROSST CANADA INC

  公开号：WO2005019161A1

  公开（公告）日：2005-03-03

  This invention relates to a novel class of compounds, represented by the formula below, wherein the meanings of G, E, E, n, R1, R2, R3 et R4 are indicated therein, which are cysteine protease inhibitors, including but not limited to, inhibitors of cathepsins K, L, S and B. These compounds are useful for treating diseases in which inhibition of bone resorption is indicated, such as osteoporosis.

  本发明涉及一类新颖的化合物，其由下述公式表示，其中G、E、E、n、R1、R2、R3和R4的含义如公式中所示，这些化合物是半胱氨酸蛋白酶抑制剂，包括但不限于组织蛋白酶K、L、S和B的抑制剂。这些化合物可用于治疗那些指示抑制骨吸收的疾病，例如骨质疏松症。
• [EN] ANTIBACTERIAL QUINAZOLINE-4(3H)-ONE DERIVATIVES<br/>[FR] DÉRIVÉS ANTIBACTÉRIENS DE QUINAZOLINE-4(3H)-ONE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2015173329A1

  公开（公告）日：2015-11-19

  The invention relates to antibacterial compounds of formula I, wherein R1 is H or halogen; R2 is the group M; R3 is H or halogen; M is MA or MB wherein A is a bond or C≡C; R1A is H or halogen; R2A is H, alkoxy or halogen; R3A is H, alkoxy, hydroxyalkoxy, hydroxyalkyl, 1,2-dihydroxyethyl, dialkylamino, 1-hydroxymethyl-cycloprop-1-yl, 1-((dimethylglycyl)oxy)methyl-cycloprop-1-yl, 3-hydroxyoxetan-3-yl, morpholin-4-ylalkyl or morpholin-4-ylalkoxy; and R1B is a group as defined in claim 1; and salts thereof.

  该发明涉及公式I的抗菌化合物，其中R1为H或卤素；R2为M基团；R3为H或卤素；M为MA或MB，其中A为键或C≡C；R1A为H或卤素；R2A为H、烷氧基或卤素；R3A为H、烷氧基、羟基烷氧基、羟基烷基、1,2-二羟乙基、二烷基氨基、1-羟甲基环丙-1-基、1-((二甲基甘氨酰氧)甲基)环丙-1-基、3-羟基氧杂环丁烷-3-基、吗啉-4-基烷基或吗啉-4-基烷氧基；以及R1B为权利要求1中定义的基团；及其盐。