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化合物简介
2-Methoxyphenylacetonitrile was used in the synthesis of 2-(1-cyano-1-(2-methoxy)phenyl)methylidene-3-phenylthiazolidine-4,5-dione as possible antibiotic agent. It can also be used to synthesize 6,7-benzomorphan derivatives as antagonists of the NMDA receptor-channel complex.
基本信息
CAS:7035-03-2
中文别名:2-甲氧基苯乙腈;邻甲氧基氰苄;
英文别名:Benzeneacetonitrile, 2-methoxy-;1-Acetoxy-2-methoxybenzene;Guaiacol acetate;2-methoxybenzyl cyanide;Phenol,2-methoxy-,acetate;2-acetoxyanisole;guaiacyl acetone;Phenol,o-methoxy-,acetate;Guaicol acetate;o-METHOXYPHENYL ACETATE;Guaiacyl acetate;o-Methoxyphenylacetonitrile;O-Acetylguaiacol;o-Acetoxyanisole;
分子式:C9H9NO
分子量:147.174
精确质量:147.068
Psa:33.02
Logp:1.76128
中文别名:2-甲氧基苯乙腈;邻甲氧基氰苄;
英文别名:Benzeneacetonitrile, 2-methoxy-;1-Acetoxy-2-methoxybenzene;Guaiacol acetate;2-methoxybenzyl cyanide;Phenol,2-methoxy-,acetate;2-acetoxyanisole;guaiacyl acetone;Phenol,o-methoxy-,acetate;Guaicol acetate;o-METHOXYPHENYL ACETATE;Guaiacyl acetate;o-Methoxyphenylacetonitrile;O-Acetylguaiacol;o-Acetoxyanisole;
分子式:C9H9NO
分子量:147.174
精确质量:147.068
Psa:33.02
Logp:1.76128
编号系统
EINECS号:230-314-5
物化性质
外观与性状:白色至略棕色结晶粉末
沸点:143°C15mm Hg(lit.)
熔点:65-67°C(lit.)
闪点:129°C
折射率:1.519
沸点:143°C15mm Hg(lit.)
熔点:65-67°C(lit.)
闪点:129°C
折射率:1.519
安全信息
安全说明:S22-S24/25-S36/37
危险类别码:R20/21/22
WGK Germany:3
海关编码:2926909090
危险品运输编码:2811
危险类别:6.1
包装等级:III
危险品标志:Xn
危险类别码:R20/21/22
WGK Germany:3
海关编码:2926909090
危险品运输编码:2811
危险类别:6.1
包装等级:III
危险品标志:Xn
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

Raman : 4880 A,200 M,powder

IR : nujol mull

IR : KBr disc
