CAS: 97582-88-2; 3-(Difluoromethoxy)Benzonitrile

该化合物是一种含氟芳烃化合物,其中含有一种二氟甲基苯氧(-OCF2H)替代物和一种硝基苯(-CN)功能组.这种结构具有独特的电子和消毒特性,使其成为制药和农用化学合成中有价值的中间体.二氟甲基苯丙胺组增强了代谢稳定性和亲脂性,而硝基苯基则提供了进一步衍生的多种功能. 它的高度纯度和连续的再活动使其适合医学化学的精确应用,特别是在生物活性分子的开发中. 化合物在各种反应条件下的稳定确保了多步合成途径的可靠性能. 建议正确处理和储存以保持其完整性.

英文名称3-(Difluoromethoxy)Benzonitrile
中文名称3-(二氟甲氧基)苯腈
IUPAC名称3-(difluoromethoxy)benzonitrile
其它别名3-(二氟甲氧基)苯甲腈; 3-Cyano-Alpha,Alpha-Difluoroanisole, 3-Cyanophenyl Difluoromethyl Ether
CAS编号97582-88-2
MFCD编号:MFCD00236225
分子式:C8H5F2NO
分子量:169.13
产品CID: 2022150
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
InChIKey: JCBOPIBHZFBHQW-UHFFFAOYSA-N
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险等级TOXIC
UN编号3276
危险品标志T
安全声明26-36/37/39
危险类别码20/21/22-36/37/38
WGK Germany3

上下游产品

3-Difluoromethoxy-benzaldehyde oxime 3-Hydroxybenzyl alcohol 3-(difluoromethoxy)-benzaldehyde (3-(difluoromethoxy)phenyl)methanol 3-Difluoromethoxy-benzamidine; hydr°Chloride {5-[5-(3-difluoromethoxy-phenyl)-2H-[1,2,4]triazol-3-yl]-2-methyl-phenyl}-(4-pyridin-3-yl-pyrimidin-2-yl)-amine 3-difluoromethoxyisobutyrophenone

合成工艺路线路线简述

合成目标产物 3-(Difluoromethoxy)Benzonitrile 主要起始原料 3-Cyanophenol
97603-92-4 = 97582-88-2
反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Tetrahydrofuran
标题:Preparation Of Triazolo[1,5-C]Pyrimidines As Potential Antiasthma Agents
作者:Medwid,Jeffrey B.; Paul,Rolf; Baker,Jannie S.; Brockman,John A.; Du,Mila T.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1990 卷标:33(4) 页码:1230-41]

= 97582-88-2 [标题:Reaction Conditions
标题:The Synthesis Of Aryl Difluoromethyl Derivatives
参考文献:World Intellectual Property Organization]

17378-82-4 + 44498-05-7 + 873-62-1 = 97582-88-2
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dimethylformamide; 4 H,75 °C
标题:Decarboxylative Trifluoromethylating Reagent [cu(O2Ccf3)(Phen)] And Difluorocarbene Precursor [cu(Phen)2][o2Ccf2Cl]
作者:Lin,Xiaoxi; Hou,Chuanqi; Li,Haohong; Weng,Zhiqiang
参考文献:Chemistry - A European Journal 日期:2016 卷标:22(6) 页码:2075-2084]

97603-92-4 = 97582-88-2
反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Tetrahydrofuran
标题:5-Substituted-[1,2,4]Triazolo[1,5-C]Pyrimidin-2-Amines
参考文献:Federal Republic Of Germany]

= 97582-88-2 [标题:Reaction Conditions
标题:Preparation Of The Rock Inhibitor And Their Medical Applications
参考文献:World Intellectual Property Organization

3-氰基苯酚以47%的收率获得产物3-(二氟甲氧基)苯甲腈
参考文献:Method For Synthesis Of Aryl Difluoromethyl Ethers
标题:Method For Synthesis Of Aryl Difluoromethyl Ethers
摘要:这项发明涉及一种制备二氟甲基醚,硫醇和胺的方法,而不使用氯氟烃气体.通过这种方法制备的中间体可用于制备某些化合物,这些化合物作为pde Iv抑制剂,对治疗哮喘和其他与pde Iv同工酶有关的疾病有用.

海关参考信息

2902300000-甲苯
2905110000-甲醇
2908199090-其他酚的卤化衍生物
2908999090-其他酚的硝化衍生物
💡 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:EP-0812308-A1
优先权日:1995-01-31
标题 :Method for synthesis of aryl difluoromethyl ethers and the like

专利号:US-5731477-A
优先权日:1995-01-31
标题 :Method for synthesis of aryl difluoromethyl ethers
发明人：KARPINSKI JOSEPH M; CHRISTENSEN IV SIEGFRIED B; DABBS STEVEN
权利人:SMITHKLINE BEECHAM CORP
摘要:This invention relates to a method for preparing difluoromethyl ethers, thiols and amines without using chlorofluorocarbon gases. The intermediates prepared by this method can be used to make certain compounds which act as PDE IV inhibitors which are useful for treating asthma and other diseases implicated with the PDE IV isozyme.

专利号:EP-0812308-B1
优先权日:1995-01-31
标题 :Method for synthesis of aryl difluoromethyl ethers and the like