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【结 构 式】

【分子编号】12965

【品名】1-[(Chlorocarbonyl)(methyl)amino]ethane

【CA登记号】42252-34-6

【 分 子 式 】C4H8ClNO

【 分 子 量 】121.56636

【元素组成】C 39.52% H 6.63% Cl 29.16% N 11.52% O 13.16%

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)

Reaction of 3-[1-(dimethylamino)ethyl]phenol (I) with N-ethyl-N-methylcarbamoyl chloride (II) and sodium hydride in tetrahydrofuran gives racemic N-ethyl-N-methylcarbamic acid 3-[1-(dimethylamino)ethyl]phenyl ester (III), which is resolved by recrystallization with (+)-D-di-O,O'-(p-toluoyl)tartaric acid in methanol followed by treatment with base.

1 Enz, A. (Novartis Deutschland GmbH); Phenylcarbamate. AU 8812554; BE 1001467; CH 675720; DE 3805744; FR 2611707; GB 2203040; JP 1988238054; JP 1997118617; JP 1997165362 .
2 Amstutz, R.; Walkinshaw, M.; Marzi, M.; Enz, A.; Boelsterli, J.; Cyclic phenyl-carbamates of the myotin-type and their action on acetylcholinesterase. Helv Chim Acta 1990, 73, 739-53.
3 Rabasseda, X.; Castaner, J.; Prous, J.; SDZ-ENA-713. Drugs Fut 1994, 19, 7, 656.
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) 12964 3-[1-(Dimethylamino)ethyl]phenol C10H15NO 详情 详情
(II) 12965 1-[(Chlorocarbonyl)(methyl)amino]ethane 42252-34-6 C4H8ClNO 详情 详情
(III) 12966 3-[1-(dimethylamino)ethyl]phenyl ethyl(methyl)carbamate C14H22N2O2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(II)

 

1 Fieldhouse R 2005. Stereoselective process for the preparation of tertiary amines attached to a secondary carbon center using a chiral transition metal transfer hydrogenation catalyst. W0 2005058804(本专利属于Avecia Pharmaceuticals Limited, UK)
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) 40588 N-methyl-1-ethanamine; N-ethyl-N-methylamine 624-78-2 C3H9N 详情 详情
(II) 12965 1-[(Chlorocarbonyl)(methyl)amino]ethane 42252-34-6 C4H8ClNO 详情 详情
(III) 66638 3-acetylphenyl ethyl(methyl)carbamate   C12H15NO3 详情 详情
(IV) 66640 (R)-3-(amino(hydroxy)methyl)phenyl ethyl(methyl)carbamate   C11H16N2O3 详情 详情
Extended Information