CAS: 369-25-5; Methyl 3,4-Difluorobenzoate

该化合物是有机化合物,其特点是芳香结构,氟替代物和甲氧化合物都有,这种化合物的特点是苯甲酸脊柱,其中两个氟原子位于芳香环的3和4个位置上,从而助长了其独特的化学特性.甲基酯功能组表示,它是苯甲酸和甲醇形成的酯,可影响其溶性与再活性.一般而言,这种化合物由于有酯组的存在而呈现中度极极性,而氟质原子可增强脂性,改变化合物的再活性和与生物系统的互动.此外,氟氨的存在可带来独特的电子特性,使其在各种化学应用,包括药品和农用化学品的应用中引起兴趣.应当参考安全数据,以便处理和可能与该化合物有关的危害.

英文名称Methyl 3,4-Difluorobenzoate
中文名称3,4-二氟苯甲酸甲酯
IUPAC名称methyl 3,4-difluorobenzoate
其它别名3,4-Difluorobenzoicacid methyl ester; Methyl 3,4-difluorobenzoate
CAS编号369-25-5
MFCD编号:MFCD00276597
EINECS号:609-313-2
分子式:C8H6F2O2
分子量:172.13
产品CID: 1378634
产品分类有机原料 → 有机氟化合物 → 氟苯甲酸系列

相似结构搜索
InChIKey: DWRVHDWKWKFSAI-UHFFFAOYSA-N
InChI=1S/C8H6F2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3…
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS05;
注释: Exclamation mark & Corrosion
危险类别急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼损伤类别1
严重眼刺激类别2
警示词Danger(危险)
危险描述H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H318 |造成严重眼损伤.
H319 |造成严重眼刺激.
防范说明P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
危险品标志Xn,Xi
风险等级Irritant
安全声明26-36/39
危险类别码22-37/38-41
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

methanol 3,4-Difluorobenzoic acid 1,2-difluoro-4-(trifluoromethyl)benzene 1,2-dichloro-4-(trifluoromethyl)benzenemethyl 3-fluoro-4-(4-morpholino)benzoate methyl 3-fluoro-4-(piperazin-1-yl)benzoate methyl 3-fluoro-4-(4-hydroxypiperidin-1-yl)benzoate methyl 4-{(3S)-aminopiperidin-1-yl}-3-fluorobenzoate

合成工艺路线路线简述

合成目标产物 Methyl 3,4-Difluorobenzoate 主要起始原料 Methanol And 3,4-Difluorobenzoic Acid
(文献来源)合成步骤主要原料 Methanol 和 3,4-Difluorobenzoic Acid

3,4-二氟三氟甲苯置于氯化亚砜,硫酸体系中,用苯用作溶剂,化学反应 5.0H,反应生成3,4-二氟苯甲酸甲酯
参考文献:Aromatic Fluorine Chemistry. Part 1. 3,4-Difluorobenzoic Acid And Derivatives Via 3,4-Difluorobenzotrifluoride
标题:Aromatic Fluorine Chemistry. Part 1. 3,4-Difluorobenzoic Acid And Derivatives Via 3,4-Difluorobenzotrifluoride
摘要:The Preparation Of 3,4-Difluorobenzotrifluoride From 3-4-Dichlorobenzotrifluoride By A Kf Exchange Reaction Is Described. The Conversion Of 3,4-Difluorobenzotrifluoride To 3,4-Difluorobenzoic Acid And Derivatives Is Also Reported.
Doi:10.1016/s0022-1139(00)85002-2

海关参考信息

2906210000-苄醇
2912110000-甲醛
2912210000-苯甲醛
2915110000-甲酸
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2018065917-A1
优先权日:2016-09-02
标题 :Immune checkpoint inhibitors, compositions and methods thereof
发明人：WEBBER STEPHEN E; ALMASSY ROBERT J
权利人:POLARIS PHARMACEUTICALS INC
摘要:The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula (I), or a stereoisomer, a tautomer or a pharmaceutically acceptable salt thereof. n n n n n n n n n n For Formula (I) compounds R 1 , R 2 , X 1 , Y 1 and n are as defined in the specification. The inventive Formula (I) compounds are inhibitors of the PD-1/PD-L1 protein/protein binding or functional interaction and find utility in any number of therapeutic applications, including but not limited to treatment of proliferative disorders such as cancer and infectious diseases.

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