4-溴乙酰基-3-氟苯硼酸 | 481725-36-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-溴乙酰基-3-氟苯硼酸
• 中文别名: B-[4-(2-溴乙酰基)-3-氟苯基]硼酸；4-(2-溴乙酰基)-3-氟苯硼酸
• 英文名称: [4-(2-bromoacetyl)-3-fluorophenyl]boronic acid
• 英文别名: 4-Bromoacetyl-3-fluorophenylboronic acid
• CAS: 481725-36-4
• 化学式: C₈H₇BBrFO₃
• 分子量: 260.855
• InChiKey: BXVHKBNJUHSCRF-UHFFFAOYSA-N

物化性质

• 沸点：
  399.7±52.0 °C(Predicted)
• 密度：
  1.68

计算性质

• 辛醇/水分配系数(LogP)：
  0.08
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2931900090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromoacetyl-3-fluorophenylboronic acid
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-Bromoacetyl-3-fluorophenylboronic acid
CAS number: 481725-36-4

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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: C8H7BBrFO3
Molecular weight: 260.9

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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 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-羟基-5-[4-(羟甲基)苯基]苯甲醛 、 4-溴乙酰基-3-氟苯硼酸 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 20.25h， 以64%的产率得到[3-fluoro-4-({5-[4-(hydroxymethyl)phenyl]-1-benzofuran-2-yl}carbonyl)phenyl]boronic acid
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS FOR INHIBITING GROUP II INTRON RNA
  [FR] COMPOSITIONS ET MÉTHODES POUR INHIBER DES ARN D'INTRON DE GROUPE II

  摘要：

  本发明提供了用于抑制II类内含子剪接的组合物和方法，用于治疗或预防与携带活跃II类内含子的生物体相关的疾病或紊乱。本发明还提供了用于抑制II类内含子剪接，以抑制、预防或减少携带活跃II类内含子的生物体生长的组合物和方法。

  公开号：

  WO2019147894A1
• 作为产物：
  描述：

  4-乙酰基-3-氟苯硼酸 、 溶剂黄146 、 溴 在 氮气 作用下， 以 甲醇 为溶剂， 反应 30.0h， 生成 4-溴乙酰基-3-氟苯硼酸
  参考文献：
  名称：

  Aryl boronate functionalized polymers for treating obesity

  摘要：

  本发明涉及一种聚合物，其包含一个或多个苯基硼酸酯、硼酰胺或硼酸硫酯基团。苯基硼酸酯、硼酰胺和硼酸硫酯基团由以下结构式之一表示：结构式（I）和（II）中的Ar是取代或未取代的；每个Z是—O—、—NH—或—S—，并且是独立选择的。本发明还包括该聚合物的药学上可接受的盐。芳基硼酸酯、硼酰胺或硼酸硫酯可被裂解以释放相应的芳基硼酸。本发明还涉及包含本发明聚合物和药学上可接受的载体或稀释剂的制药组合物；以及使用本发明聚合物治疗肥胖症的方法。

  公开号：

  US20060128663A1

文献信息

• Aryl boronate functionalized polymers for treating obesity
  申请人：Holmes-Farley Randall Stephen

  公开号：US20060128663A1

  公开（公告）日：2006-06-15

  Disclosed are polymers comprising one or more phenyl boronate ester, boronamide or boronate thioester groups. The phenyl boronate ester, boronamide and boronate thioester groups are represented by one of the following structural formulas: Ar in Structural Formulas (I) and (II) is substituted or unsubstituted; and each Z is —O—, —NH— or —S— and is independently selected. Pharmaceutically acceptable salts of the polymer are also included. The aryl boronate ester, boronamide or boronate thioester can be cleaved to release the corresponding aryl boronic acid. Also disclosed are pharmaceutical compositions comprising the polymers of the present invention and a pharmaceutically acceptable carrier or diluent; and methods of treating a subject for obesity with the polymers of the present invention.

  本发明涉及一种聚合物，其包含一个或多个苯基硼酸酯、硼酰胺或硼酸硫酯基团。苯基硼酸酯、硼酰胺和硼酸硫酯基团由以下结构式之一表示：结构式（I）和（II）中的Ar是取代或未取代的；每个Z是—O—、—NH—或—S—，并且是独立选择的。本发明还包括该聚合物的药学上可接受的盐。芳基硼酸酯、硼酰胺或硼酸硫酯可被裂解以释放相应的芳基硼酸。本发明还涉及包含本发明聚合物和药学上可接受的载体或稀释剂的制药组合物；以及使用本发明聚合物治疗肥胖症的方法。
• [EN] COMPOSITIONS AND METHODS FOR INHIBITING GROUP II INTRON RNA<br/>[FR] COMPOSITIONS ET MÉTHODES POUR INHIBER DES ARN D'INTRON DE GROUPE II
  申请人：UNIV YALE

  公开号：WO2019147894A1

  公开（公告）日：2019-08-01

  The present invention provides compositions and methods for inhibiting group II intron splicing for treating or preventing a disease or disorder associated with an organism harboring an active group II intron. The present invention also provides compositions and methods for inhibiting group II intron splicing for inhibiting, preventing or reducing growth of an organism harboring an active group II intron.

  本发明提供了用于抑制II类内含子剪接的组合物和方法，用于治疗或预防与携带活跃II类内含子的生物体相关的疾病或紊乱。本发明还提供了用于抑制II类内含子剪接，以抑制、预防或减少携带活跃II类内含子的生物体生长的组合物和方法。
• Aryl boronic acids for treating obesity
  申请人：Holmes-Farley Randall Stephen

  公开号：US20060128664A1

  公开（公告）日：2006-06-15

  Disclosed is a phenyl boronic acid compound represented by Structural Formula (I): Ar is a substituted or unsubstituted aryl group. Z and Z′ are independently —O—. —NH— or —S—. X is an electron withdrawing group. R is a substituted or unsubstituted straight chained hydrocarbyl group optionally comprising one or more amine, ammonium, ether, thioether or phenylene linking groups and Y is —H, an amine, —[NH—(CH 2 ) q ] r —NH 2 , halogen, —CF 3 , thiol, ammonium, alcohol, —COOH, —SO 3 H, —OSO 3 H or phosphonium group covalently bonded to the terminal position of R. Each —NH— in —[NH—(CH 2 ) q ] r —NH 2 is optionally N-alkylated or N,N-dialkylated and —NH 2 in —[NH—CH 2 ) q ] r —NH 2 is optionally N-alkylated, N,N-dialkylated or N,N,N-trialkylated. q is an integer from 2 to about 10 and r is an integer from 1 to about 5. R 1 and R 1 ′ are independently —H, an aliphatic group, a substituted aliphatic group, an aryl group or a substituted aryl group, or, taken together, are a C2-C5 substituted or unsubstituted alkylene group optionally comprising an amine linking group [—N + (R 1a )—]. Each R 1 is Structural Formula (I) is preferably —H. R 1a is —H, alkyl, substituted alkyl phenyl or substituted phenyl. Also disclosed is a method of treating obesity in a subject by administering an effective amount of a compound represented by Structural Formula (I) and a pharmaceutical composition comprising the compound and a pharmaceutically acceptable carrier or diluent.

  本发明公开了一种苯基硼酸化合物，其结构式表示为（I）：其中，Ar是取代或未取代的芳基基团。Z和Z'分别是—O—、—NH—或—S—。X是电子提取基团。R是取代或未取代的直链烃基团，可选地包括一个或多个胺、铵、醚、硫醚或苯撑链连接基团，而Y是—H，一种胺，—[NH—（CH2）q]r—NH2，卤素，—CF3，硫醇，铵、醇、—COOH、—SO3H、—OSO3H或磷铵基团，共价键结合到R的末端位置。在—[NH—（CH2）q]r—NH2中，每个—NH—可选地是N-烷基化或N，N-二烷基化的，而在—[NH—CH2）q]r—NH2中，—NH2可选地是N-烷基化、N，N-二烷基化或N，N，N-三烷基化的。q为2到约10的整数，r为1到约5的整数。R1和R1'分别是—H、脂肪基、取代脂肪基、芳基或取代芳基，或者一起是C2-C5取代或未取代的烷基链，可选地包括一种胺连接基团[—N+（R1a）—]。在结构式（I）中，每个R1优选为—H。R1a是—H、烷基、取代烷基苯基或取代苯基。本发明还公开了一种通过给予结构式（I）所代表的化合物的有效量以及包含该化合物和药学上可接受的载体或稀释剂的药物组合物来治疗主体肥胖的方法。