2,3-二甲基-4-氟苯酚 | 77249-34-4

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯酚系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,3-二甲基-4-氟苯酚
• 英文名称: 4-Fluoro-2,3-dimethylphenol
• CAS: 77249-34-4
• 化学式: C₈H₉FO
• 分子量: 140.15
• InChiKey: DHLAUQGFPHIULU-UHFFFAOYSA-N

物化性质

• 沸点：
  226℃
• 密度：
  1.124
• 闪点：
  110℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  T
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319

制备方法与用途

2,3-二甲基-4-氟苯酚是一种重要的含氟化合物，广泛应用于医药中间体的合成，是制备含氟药物不可或缺的原料。

文献信息

• PROCESS FOR PREPARING 1, 2-BENZENEDIMETHANOL COMPOUND
  申请人：GOWAN COMPANY, L.L.C.

  公开号：US20200399263A1

  公开（公告）日：2020-12-24

  A process for preparing a compound represented by Formula [1], the process comprising a step of hydrolyzing a compound represented by Formula [2] under an acidic or basic condition, and a step of reacting a compound represented by Formula [3] with a metal acetate salt, and a step of halogenating a compound represented by Formula [4]; a process for preparing a compound represented by Formula [1] comprising a step of reacting a compound represented by Formula [3] with a metal acetate salt, and then, adding alcohol, water, or base to the reaction solution to perform reaction; a process for preparing a compound represented by Formula [1] comprising a step of reacting a compound represented by Formula [3] under a presence or absence of a base, an ionic liquid and a metal sulfate salt, in water or a mixed solvent of water and an organic solvent; a compound represented by Formula [2] or a salt of the same; and a compound represented by Formula [3] or a salt of the same.

  制备由化学式[1]表示的化合物的方法，包括在酸性或碱性条件下水解由化学式[2]表示的化合物的步骤，以及与金属醋酸盐反应由化学式[3]表示的化合物的步骤，以及卤代由化学式[4]表示的化合物的步骤；制备由化学式[1]表示的化合物的方法，包括将由化学式[3]表示的化合物与金属醋酸盐反应的步骤，然后向反应溶液中加入醇、水或碱来进行反应；制备由化学式[1]表示的化合物的方法，包括在水或水和有机溶剂的混合溶剂中，在存在或缺乏碱、离子液体和金属硫酸盐的情况下，将由化学式[3]表示的化合物进行反应的步骤；由化学式[2]表示的化合物或其盐；以及由化学式[3]表示的化合物或其盐。
• METHOD FOR PRODUCING 1, 2-BENZENE DIMETHANOL COMPOUND
  申请人：SDS Biotech K. K.

  公开号：EP3415496A1

  公开（公告）日：2018-12-19

  The present invention relates to: a method for producing a compound represented by formula (1), which comprises a step for hydrolyzing a compound represented by formula (2) under acidic or basic conditions, a step for reacting a compound represented by formula (3) and a metal acetate salt with each other, and a step for halogenating a compound represented by formula (4); a method for producing a compound represented by formula (1), which comprises a step for reacting a compound represented by formula (3) and a metal acetate salt with each other and then causing a further reaction by adding an alcohol, water and a base into the resulting reaction liquid; a method for producing a compound represented by formula (1), which comprises a step for causing a reac - tion of a compound represented by formula (3) in the presence or absence of a base, an ionic liquid and a metal sulfate salt in water or in a mixed solvent of water and an organic solvent; a compound represented by formula (2) or a salt thereof; and a compound represented by formula (3) or a salt thereof.

  本发明涉及一种生产式(1)所代表化合物的方法，该方法包括在酸性或碱性条件下水解式(2)所代表化合物的步骤、使式(3)所代表化合物和乙酸金属盐相互反应的步骤，以及卤化式(4)所代表化合物的步骤；一种生产式(1)所代表化合物的方法，其中包括使式(3)所代表化合物和乙酸金属盐相互反应，然后通过向生成的反应液中加入醇、水和碱而进一步反应的步骤；一种生产由式（1）代表的化合物的方法，其中包括一个步骤，使由式（3）代表的化合物在碱存在或不存在的情况下，在水中或在水和有机溶剂的混合溶剂中发生反应；由式（2）代表的化合物或其盐类；以及由式（3）代表的化合物或其盐类。
• Process for preparing 1, 2-benzenedimethanol compound
  申请人：GOWAN COMPANY, L.L.C.

  公开号：US11274076B2

  公开（公告）日：2022-03-15

  A process for preparing a compound represented by Formula [1], the process comprising a step of hydrolyzing a compound represented by Formula [2] under an acidic or basic condition, and a step of reacting a compound represented by Formula [3] with a metal acetate salt, and a step of halogenating a compound represented by Formula [4]; a process for preparing a compound represented by Formula [1] comprising a step of reacting a compound represented by Formula [3] with a metal acetate salt, and then, adding alcohol, water, or base to the reaction solution to perform reaction; a process for preparing a compound represented by Formula [1] comprising a step of reacting a compound represented by Formula [3] under a presence or absence of a base, an ionic liquid and a metal sulfate salt, in water or a mixed solvent of water and an organic solvent; a compound represented by Formula [2] or a salt of the same; and a compound represented by Formula [3] or a salt of the same.

  一种制备由式[1]代表的化合物的工艺，该工艺包括在酸性或碱性条件下水解由式[2]代表的化合物的步骤，以及由式[3]代表的化合物与金属醋酸盐反应的步骤，和卤化由式[4]代表的化合物的步骤；一种制备由式[1]代表的化合物的工艺，该工艺包括由式[3]代表的化合物与金属醋酸盐反应的步骤，然后，在反应溶液中加入醇、水或碱以进行反应；一种制备由式[1]代表的化合物的工艺，包括在碱存在或不存在的情况下，在水或水和有机溶剂的混合溶剂中使由式[3]代表的化合物、由式[2]代表的化合物或其盐以及由式[3]代表的化合物或其盐反应的步骤。
• PROCESS FOR PREPARING 1,2-BENZENEDIMETHANOL COMPOUND
  申请人：Gowan Company, L.L.C.

  公开号：EP3415496B1

  公开（公告）日：2021-07-21
• [EN] NOVEL COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH POLY(ADP-RIBOSE) POLYMERASE-1 (PARP-1)<br/>[FR] NOUVEAU COMPOSÉ, SON PROCÉDÉ DE PRÉPARATION ET COMPOSITION PHARMACEUTIQUE LE CONTENANT EN TANT QUE PRINCIPE ACTIF POUR LA PRÉVENTION OU LE TRAITEMENT DE MALADIES ASSOCIÉES À LA POLY (ADP-RIBOSE) POLYMÉRASE -1 (PARP -1)<br/>[KO] 신규한 화합물, 이의 제조방법 및 이를 유효성분으로 함유하는 폴리(ADP-리보스)폴리머라제-1(PARP-1) 관련 질환의 예방 또는 치료용 약학적 조성물
  申请人：IAC IN NAT UNIV CHUNGNAM

  公开号：WO2018044136A1

  公开（公告）日：2018-03-08

  본 발명은 신규한 화합물, 이의 제조방법 및 이를 유효성분으로 함유하는 폴리(ADP-리보스)폴리머라제-1(PARP-1) 관련 질환의 예방 또는 치료용 약학적 조성물에 관한 것으로, 본 발명에 따른 신규 PARP-1 억제 화합물은 나노몰 단위의 농도에서 우수한 PARP-1 억제 효과를 나타내고, 나아가, 안과 질환 또는 장애, 구체적으로 망막 질환에 우수한 세포 보호 효과(세포 사멸 억제 효과)를 나타내어, 이를 유효성분으로 함유하는 PARP-1 관련 질환, 예를 들어 안과 질환 또는 장애의 예방 또는 치료용 약학적 조성물로서 유용한 효과가 있다.