2-氟-6-甲基苯甲酸 | 90259-27-1

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: 2-氟-6-甲基苯甲酸
• 英文名称: 2-fluoro-6-methylbenzoic acid
• CAS: 90259-27-1
• 化学式: C₈H₇FO₂
• mdl: MFCD06658162
• 分子量: 154.141
• InChiKey: WELNSIYTQJSNRP-UHFFFAOYSA-N

物化性质

• 沸点：
  257.7±20.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2916399090
• 危险品标志：
  Xi
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  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: 2-Fluoro-6-methylbenzoic 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: 2-Fluoro-6-methylbenzoic acid
CAS number: 90259-27-1

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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: C8H7FO2
Molecular weight: 154.1

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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 fluoride.

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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

制备方法与用途

用途

2-氟-6-甲氧基苯甲酸是一种重要的医药中间体，常用于合成苯并吡咯酮类药物，这类药物可作为肿瘤和艾滋病病毒（HIV）的抑制剂。此外，它还可用作咪唑吡啶类药物合成的原料。

合成

以2,6-二氟苯甲腈为原料，经过甲氧基化制备得到2-氟-6-甲氧基苯甲腈，再通过碱性水解即可获得2-氟-6-甲氧基苯甲酸。

反应信息

• 作为反应物：
  描述：

  2-氟-6-甲基苯甲酸 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.0h， 生成 7-bromo-6-methyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
  参考文献：
  名称：

  ARYL AND HETEROARYL FUSED LACTAMS

  摘要：

  本发明涉及具有通用公式（I）的化合物，其中R1，R2，U，V，L，M，R5，m，X，Y和Z定义如本文中所述，以及药用可接受的盐，包含此类化合物和盐的药物组合物，以及使用此类化合物、盐和组合物治疗异常细胞生长，包括癌症的方法。

  公开号：

  US20140179667A1
• 作为产物：
  描述：

  2-(2-fluoro-6-methylphenyl)-4,4-dimethyl-4,5-dihydrooxazole 在 盐酸 作用下， 以 水 为溶剂， 生成 2-氟-6-甲基苯甲酸
  参考文献：
  名称：

  [EN] DERIVATIVES OF N-(1H-INDAZOLYL)- AND N-(1H-INDOLYL)-UREA AS WELL AS RELATED COMPOUNDS AS MODULATORS OF THE VANILLOID-1 RECEPTOR (VR1) FOR THE TREATMENT OF PAIN
  [FR] UREES HETEROAROMATIQUES MODULANT LA FONCTION DU RECEPTEUR VANILLOIODE-1 (VR1)

  摘要：

  公开号：

  WO2005028445A3

文献信息

• NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS
  申请人：MUTHUPPALANIAPPAN Meyyappan

  公开号：US20110275603A1

  公开（公告）日：2011-11-10

  The present invention provides dihydroorotate dehydrogenase inhibitors, methods of preparing them, pharmaceutical compositions containing them and methods of treatment, prevention and/or amelioration of diseases or disorders wherein the inhibition of Dihydroorotate dehydrogenase is known to show beneficial effect.

  本发明提供了脱氢鸟苷酸脱氢酶抑制剂，其制备方法，含有它们的药物组合物以及治疗、预防和/或改善疾病或障碍的方法，其中已知抑制脱氢鸟苷酸脱氢酶具有益处效果。
• [EN] PYRROLCARBOXAMIDE DERIVATIVES FOR THE INHBITION OF ERK5<br/>[FR] DÉRIVÉS DE PYRROLCARBOXAMIDE POUR L'INHIBITION DE L'ERK5
  申请人：CANCER REC TECH LTD

  公开号：WO2016042341A1

  公开（公告）日：2016-03-24

  The invention provides compounds of formula (I) or a tautomer, stereoisomer, N-oxide, pharmaceutically acceptable salt or solvate thereof. The compounds are useful for the prophylaxis or treatment of a disease state or condition mediated by ERK5, in particular cancers.

  这项发明提供了式(I)的化合物或其互变异构体、立体异构体、N-氧化物、药用可接受的盐或溶剂。这些化合物对于预防或治疗由ERK5介导的疾病状态或病况，特别是癌症，具有用处。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIDINE SUBSTITUÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
  申请人：ANDREWS STEVEN W

  公开号：WO2018071454A1

  公开（公告）日：2018-04-19

  Provided herein are compounds of the Formula I: (I) or pharmaceutically acceptable salt or solvate thereof, wherein A, B, X1, X2, X3, X4, Ring D, E, Ra, Rb, n and m have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including RET-associated diseases and disorders.

  本文提供了Formula I的化合物：(I)或其药用可接受的盐或溶剂，其中A、B、X1、X2、X3、X4、环D、E、Ra、Rb、n和m的含义如规范中所述，它们是RET激酶的抑制剂，并且在治疗和预防可以用RET激酶抑制剂治疗的疾病中非常有用，包括与RET相关的疾病和紊乱。
• TRICYCLIC HETEROCYCLES AS FGFR INHIBITORS
  申请人：Incyte Corporation

  公开号：US20210171535A1

  公开（公告）日：2021-06-10

  The present disclosure relates to tricyclic heterocycles, and pharmaceutical compositions of the same, that are inhibitors of the FGFR enzyme and are useful in the treatment of FGFR-associated diseases such as cancer.

  本公开涉及三环杂环化合物及其药物组合物，这些化合物是FGFR酶的抑制剂，可用于治疗FGFR相关疾病，如癌症。
• [EN] IDO INHIBITORS<br/>[FR] INHIBITEURS DE L'IDO
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015002918A1

  公开（公告）日：2015-01-08

  There are disclosed compounds of formula (I) that modulate or inhibit the enzymatic activity of indoleamine 2,3-dioxygenase (IDO), pharmaceutical compositions containing said compounds and methods of treating proliferative disorders, such as cancer, viral infections and/or inflammatory disorders utilizing the compounds of the invention.

  公开了化合物(I)的结构，该化合物调节或抑制色氨酸2,3-二氧化酶(IDO)的酶活性，包含该化合物的药物组合物以及利用该发明的化合物治疗增殖性疾病，如癌症、病毒感染和/或炎症性疾病的方法。