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【结 构 式】

【分子编号】32960

【品名】4-(bromomethyl)-3-chlorobenzonitrile

【CA登记号】

【 分 子 式 】C8H5BrClN

【 分 子 量 】230.49114

【元素组成】C 41.69% H 2.19% Br 34.67% Cl 15.38% N 6.08%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(II)

Benzylic bromination of 3-chloro-4-methylbenzonitrile (I) by means of N-bromosuccinimide and azobis(isobutyronitrile) provided bromide (II). Subsequent displacement of the bromine atom of (III) by potassium phthalimide (III) afforded the N-substituted phthalimide (IV), which was then deprotected with ethanolic hydrazine to furnish the primary amine (V).

1 Antane, M.M.; Herbst, D.R.; McFarlane, G.R.; Gundersen, E.G.; Hirth, B.H.; Quagliato, D.A.; Graceffa, R.F.; Butera, J.A.; Gilbert, A.M. (American Home Products Corp.); Substd. N-arylmethylamino derivs. of cyclobutene-3, 4-diones. US 5763474; US 5780505; WO 9802413 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 32959 3-chloro-4-methylbenzonitrile C8H6ClN 详情 详情
(II) 32960 4-(bromomethyl)-3-chlorobenzonitrile C8H5BrClN 详情 详情
(III) 27890 Potassium phthalimide 1074-82-4 C8H4KNO2 详情 详情
(IV) 32961 3-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzonitrile C16H9ClN2O2 详情 详情
(V) 32962 4-(aminomethyl)-3-chlorobenzonitrile C8H7ClN2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(II)

Benzylic bromination of 3-chloro-4-methylbenzonitrile (I) by means of N-bromosuccinimide and azobis(isobutyronitrile) provided bromide (II). Subsequent displacement of the bromine atom of (II) by potassium phthalimide (III) afforded the N-substituted phthalimide (IV), which was then deprotected with ethanolic hydrazine to furnish the primary amine (V).

1 Antane, M.M.; Herbst, D.R.; McFarlane, G.R.; Gundersen, E.G.; Hirth, B.H.; Quagliato, D.A.; Graceffa, R.F.; Butera, J.A.; Gilbert, A.M. (American Home Products Corp.); Substd. N-arylmethylamino derivs. of cyclobutene-3, 4-diones. US 5763474; US 5780505; WO 9802413 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 32959 3-chloro-4-methylbenzonitrile C8H6ClN 详情 详情
(II) 32960 4-(bromomethyl)-3-chlorobenzonitrile C8H5BrClN 详情 详情
(III) 27980 Diisopropyl (diisopropoxyphosphoryl)methylphosphonate; Tetraisopropyl methylenediphosphonate 1660-95-3 C13H30O6P2 详情 详情
(IV) 32961 3-chloro-4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzonitrile C16H9ClN2O2 详情 详情
(V) 32962 4-(aminomethyl)-3-chlorobenzonitrile C8H7ClN2 详情 详情
Extended Information