2-溴-4-氯-1-(二氟甲氧基)苯 | 1214348-81-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-溴-4-氯-1-(二氟甲氧基)苯
• 英文名称: 2-bromo-4-chloro-1-(difluoromethoxy)benzene
• 英文别名: 2-bromo-4-chlorophenyl difluormethyl ether；2-bromo-4-chlorophenyl difluoromethyl ether
• CAS: 1214348-81-8
• 化学式: C₇H₄BrClF₂O
• 分子量: 257.462
• InChiKey: XFRGUUPMGQRCGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 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: 2-Bromo-4-chloro-1-(difluoromethoxy)benzene
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: 2-Bromo-4-chloro-1-(difluoromethoxy)benzene
CAS number: 1214348-81-8

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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, refrigerated.
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: C7H4BrClF2O
Molecular weight: 257.5

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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, hydrogen chloride, hydrogen fluoride, 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：

  2-溴-4-氯-1-(二氟甲氧基)苯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 Oxone 、 potassium acetate 作用下， 以 四氢呋喃 、 水 、 丙酮 为溶剂， 反应 4.25h， 生成 5-chloro-2-(difluoromethoxy)phenol
  参考文献：
  名称：

  CHEMICAL COMPOUNDS

  摘要：

  本发明涉及新的磺胺类URAT-1抑制剂化合物，化学式为(I)或其药用可接受的盐：包含它们的组合物，其制备方法，用于这些方法的中间体以及治疗方法；其中R1、R2、R3、R4、R5和R6如描述中所定义。

  公开号：

  US20140315933A1
• 作为产物：
  描述：

  溴氟甲基膦酸二乙酯 、 2-溴-4-氯苯酚 在 potassium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 生成 2-溴-4-氯-1-(二氟甲氧基)苯
  参考文献：
  名称：

  [EN] FACTOR XIa INHIBITORS
  [FR] INHIBITEURS DU FACTEUR XIA

  摘要：

  本发明提供了一种化合物（I）的化合物，以及包含一种或多种所述化合物的药物组合物，并且提供了使用所述化合物用于治疗或预防血栓形成、栓塞、高凝血性或纤维变化的方法。这些化合物是选择性因子XIa抑制剂或因子XIa和血浆激肽酶的双重抑制剂。

  公开号：

  WO2017074832A1

文献信息

• Visible-Light Photoredox Difluoromethylation of Phenols and Thiophenols with Commercially Available Difluorobromoacetic Acid
  作者：Jinyan Yang、Min Jiang、Yunhe Jin、Haijun Yang、Hua Fu

  DOI：10.1021/acs.orglett.7b01118

  日期：2017.5.19

  A simple and efficient visible-light photoredox one-pot method for difluoromethylation of phenols and thiophenols has been developed. The protocol uses commercially available, inexpensive, and easy handling difluorobromoacetic acid as the difluoromethylating agent, and the diverse O- and S-difluoromethylated products were prepared in good yields with tolerance of many functional groups.

  已开发出一种简单有效的酚和硫酚二氟甲基化的可见光氧化还原一锅法。该方案使用可商购的，廉价的和易于处理的二氟溴乙酸作为二氟甲基化剂，并且以高收率制备了多种O-和S-二氟甲基化产物，并具有许多官能团的耐受性。
• Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160052884A1

  公开（公告）日：2016-02-25

  The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  这项发明涉及替代的氧代吡啶衍生物及其制备方法，以及它们用于制备用于治疗和/或预防疾病的药物，特别是心血管疾病，优选是血栓性或血栓栓塞性疾病、水肿以及眼科疾病。
• 치환된 옥소피리딘 유도체 및 심혈관 장애의 치료에서의 그의 용도
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT 바이엘 파마 악티엔게젤샤프트(519980697332)

  公开号：KR20150137095A

  公开（公告）日：2015-12-08

  본 발명은 하기 화학식 I의 치환된 옥소피리딘 유도체, 및 그의 제조 방법 및 질환, 특히 심혈관 질환, 바람직하게는 혈전성 또는 혈전색전성 질환, 및 부종, 및 또한 안과 장애의 치료 및/또는 예방을 위한 의약의 제조를 위한 그의 용도에 관한 것이다. <화학식 I> 상기 식에서, R1은 하기 화학식의 기이고, 여기서 *는 옥소피리딘 고리에 대한 부착 부위이고, R6은 브로민, 염소, 플루오린, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 디플루오로메톡시 또는 트리플루오로메톡시이고, R7은 브로민, 염소, 플루오린, 시아노, 니트로, 히드록실, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 에톡시, 디플루오로메톡시, 트리플루오로메톡시, 에티닐, 3,3,3-트리플루오로프로프-1-인-1-일 또는 시클로프로필이다.

  本发明涉及下式I的取代的氧吡啶衍生物、其制备方法及其在制备治疗和/或预防疾病，特别是心血管疾病，优选血栓性或血栓栓塞性疾病和水肿，以及眼科疾病的药物中的用途。<方案 I>在上式中，R1 是下式的基团，其中 * 是氧吡啶环的连接位点，R6 是溴、氯、氟、甲基、二氟甲基、三氟甲基、甲氧基、二氟甲氧基或三氟甲氧基、R7 是溴、氯、氟、氰基、硝基、羟基、甲基、二氟甲基、三氟甲基、甲氧基、乙氧基、二氟甲氧基、三氟甲氧基、乙炔基、3,3,3-三氟丙-1-炔-1-基或环丙基。
• OXO-PYRIDINE-DERIVATIVES AS FACTOR XIA INHIBITORS FOR THE TREATMENT OF THROMBOSIS
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20190119213A1

  公开（公告）日：2019-04-25

  The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  这项发明涉及替代氧吡啶衍生物及其制备方法，以及它们用于制备治疗和/或预防疾病的药物，特别是心血管疾病，优选为血栓性或血栓栓塞性疾病，水肿，以及眼科疾病。
• [EN] FACTOR XIa INHIBITORS<br/>[FR] INHIBITEURS DU FACTEUR XIA
  申请人：MERCK SHARP & DOHME

  公开号：WO2017074832A1

  公开（公告）日：2017-05-04

  The present invention provides a compound of Formula (I) and pharmaceutical compositions comprising one or more said compounds, and methods for using said compounds for treating or preventing thromboses, embolisms, hypercoagulability or fibrotic changes. The compounds are selective Factor XIa inhibitors or dual inhibitors of Factor XIa and plasma Kallikrein.

  本发明提供了一种化合物（I）的化合物，以及包含一种或多种所述化合物的药物组合物，并且提供了使用所述化合物用于治疗或预防血栓形成、栓塞、高凝血性或纤维变化的方法。这些化合物是选择性因子XIa抑制剂或因子XIa和血浆激肽酶的双重抑制剂。