苯并呋喃-1,7-氯 | 24410-55-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 苯并呋喃-1,7-氯
• 中文别名: 7-氯苯并呋喃
• 英文名称: 7-chlorobenzofuran
• 英文别名: 7-chloro-1-benzofuran
• CAS: 24410-55-7
• 化学式: C₈H₅ClO
• 分子量: 152.58
• InChiKey: AROWSPBDKGWJNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  214-216 °C
• 密度：
  1.289±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2932999099
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,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: 7-Chloro-benzofuran
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: 7-Chloro-benzofuran
CAS number: 24410-55-7

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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, under −20◦C.
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: C8H5ClO
Molecular weight: 152.6

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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.

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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：

  苯并呋喃-1,7-氯 在 2-二叔丁基膦-2′,4′,6′-三异丙基-3,6-二甲氧基-1,1′-联苯 、 C₄₄H₆₂NO₅PPdS 、 水 、 potassium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 以93%的产率得到7-羟基苯并呋喃
  参考文献：
  名称：

  Palladium-Catalyzed Hydroxylation of Aryl and Heteroaryl Halides Enabled by the Use of a Palladacycle Precatalyst

  摘要：

  A method for the hydroxylation of aryl and heteroaryl halides, promoted by a catalyst based on a biarylphosphine ligand tBuBrettPhos (1,5) and its corresponding palladium precatalyst (1), is described. The reactions allow the cross-coupling of both potassium and cesium hydroxides with (hetero)aryl halides to afford a variety of phenols and hydroxylated heteroarenes in high to excellent yield.

  DOI：

  10.1021/jo500662s
• 作为产物：
  描述：

  7-chlorobenzofuran-2-carboxylic acid 在 喹啉 、 铜 作用下， 生成 苯并呋喃-1,7-氯
  参考文献：
  名称：

  New 2-substituted 1,2,3,4-tetrahydrobenzofuro[3,2- c ]pyridine having highly active and potent central α 2 -antagonistic activity as potential antidepressants

  摘要：

  The synthesis and biological activity of a series of benzofuro[3,2-c]pyridines and a benzothieno[3,2-c]pyridine are described. These compounds exhibit high affinity for the alpha(2)-adrenoceptor, with high selectivity versus the alpha(1)-receptor. Compound 1 also shows potent in vivo central activity and has been selected for further biological and clinical evaluation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00591-0

文献信息

• [EN] BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS PAR HÉTÉROARYLE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018013774A1

  公开（公告）日：2018-01-18

  Disclosed are compounds of Formula (I) to (VIII): (I) (II) (III) (IV) (V) (VI) (VII) (VIII); or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate or prodrug thereof, wherein R3 is a bicyclic heteroaryl group substituted with zero to 3 R3a; and R1, R2, R3a, R4, and n are defined herein. Also disclosed are methods of using such compounds as PAR4 inhibitors, and pharmaceutical compositions comprising such compounds. These compounds are useful in inhibiting or preventing platelet aggregation, and are useful for the treatment of a thromboembolic disorder or the primary prophylaxis of a thromboembolic disorder.

  公开了公式(I)至(VIII)的化合物：(I) (II) (III) (IV) (V) (VI) (VII) (VIII)；或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中R3是与0至3个R3a取代的双环杂芳基团；且R1、R2、R3a、R4和n在此定义。还公开了使用这些化合物作为PAR4抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物用于抑制或预防血小板聚集，用于治疗血栓栓塞障碍或作为血栓栓塞障碍的初级预防。
• [EN] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS<br/>[FR] COMPOSÉS INDOLIQUES UTILES EN TANT QUE MODULATEURS DU RÉCEPTEUR DES ANDROGÈNES
  申请人：NIDO BIOSCIENCES INC

  公开号：WO2022020342A1

  公开（公告）日：2022-01-27

  Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

  本文提供了一种公式（V）的化合物，它们与雄激素受体（AR）的BF3结合，可以调节AR以治疗肯尼迪病。
• [EN] AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES<br/>[FR] IMIDAZOPYRIDAZINES SUBSTITUÉES PAR AMINO
  申请人：BAYER IP GMBH

  公开号：WO2013144189A1

  公开（公告）日：2013-10-03

  The present invention relates to amino-substituted imidazopyridazine compounds of general formula (I), in which A, R1, R2, R3, R4, R5 and n are as defined in the claims, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper- proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式(I)的氨基取代咪唑吡啶化合物，其中A、R1、R2、R3、R4、R5和n如权利要求中所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分结合。
• AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES
  申请人：Bayer Intellectual Property GmbH

  公开号：US20150087631A1

  公开（公告）日：2015-03-26

  The present invention relates to amino-substituted imidazopyridazine compounds of general formula (I), in which A, R1, R2, R3, R4, R5 and n are as defined in the claims, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及一般式（I）的氨基取代咪唑吡啶化合物，其中A、R1、R2、R3、R4、R5和n如权利要求中所定义，以及制备所述化合物的方法，用于制备所述化合物的有用中间体化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗或预防疾病的药物组合物，特别是用作唯一药剂或与其他活性成分组合使用，治疗或预防过度增殖和/或血管生成紊乱。
• Copper‐Catalyzed Ring Opening of Benzofurans and an Enantioselective Hydroamination Cascade
  作者：Qing‐Feng Xu‐Xu、Qiang‐Qiang Liu、Xiao Zhang、Shu‐Li You

  DOI：10.1002/anie.201809003

  日期：2018.11.12

  A copper(II) acetate/(R)‐DTBM‐SEGPHOS‐catalyzed ring opening of benzofurans and enantioselective hydroamination cascade with dimethoxymethylsilane (DMMS) and hydroxylamine esters is described. Starting from readily available substituted benzofurans, a series of chiral N,N‐dibenzylaminophenols, which are of high interest in pharmaceutical chemistry, were obtained with excellent enantioselectivities (up

  描述了乙酸铜（II）/（R）-DTBM-SEGPHOS催化的苯并呋喃的开环以及与二甲氧基甲基硅烷（DMMS）和羟胺酯的对映选择性加氢胺化级联反应。从易于获得的取代苯并呋喃开始，获得了一系列手性N，N-二苄基氨基酚，它们在药物化学中备受关注，并具有出色的对映选择性（产率高达66％，ee高达94％）。