Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate → 2-Cyano-3-[[(3S)-hexahydro-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-azepin-3-yl]amino]-3-[(2-methyl-6-benzofuranyl)amino]propenoic acid methyl ester

HRID 1264638

反応式

HRID 1264638 の反応式
[CH3:1][C:2]1[O:3][C:4]2[CH:10]=[C:9]([NH2:11])[CH:8]=[CH:7][C:5]=2[CH:6]=1.[C:12]([C:14](=[C:19](SC)SC)[C:15]([O:17][CH3:18])=[O:16])#[N:13].[NH2:24][C@H:25]1[CH2:31][CH2:30][CH2:29][CH2:28][N:27]([CH2:32][C:33]([N:35]2[CH2:39][CH2:38][CH2:37][CH2:36]2)=[O:34])[C:26]1=[O:40]>C(#N)C>[CH3:18][O:17][C:15](=[O:16])[C:14]([C:12]#[N:13])=[C:19]([NH:24][C@H:25]1[CH2:31][CH2:30][CH2:29][CH2:28][N:27]([CH2:32][C:33](=[O:34])[N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[C:26]1=[O:40])[NH:11][C:9]1[CH:8]=[CH:7][C:5]2[CH:6]=[C:2]([CH3:1])[O:3][C:4]=2[CH:10]=1

参加物

5

反応物 3

HCID 319957Methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoateHCID 12047820(S)-1-[(3-amino-hexahydro-2-oxo-1H-azepin-1-yl)acetyl]pyrrolidineHCID 186125392-Methyl-1-benzofuran-6-amine

生成物 1

HCID 700302142-Cyano-3-[[(3S)-hexahydro-2-oxo-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-azepin-3-yl]amino]-3-[(2-methyl-6-benzofuranyl)amino]propenoic acid methyl ester収率 11%

試薬・触媒・溶媒 1

HCID 6342Acetonitrile溶媒

実験手順

In a procedure similar to that in example 36, the title compound (8 mg, 11%) was synthesized from 2-methyl-6-benzofuranamine (34 mg, 0.23 mmol), methyl 2-cyano-3,3-bis(methylthio)-2-propenoate (47 mg, 0.23 mmol), and 1-[[(3S)-3-aminohexahydro-2-oxo-1H-azepin-1-yl]acetyl]pyrrolidine (102 mg, 0.43 mmol) using acetonitrile as the reaction solvent: MS (ESI, pos, ion) m/z 494 (M+H); HPLC (method C) tR 3.6 min.

出典と根拠

ORDレコード
ord-47b1c1df66fe4d6a9636855aad5b5f0b
出典データセット
uspto-grants-2003_04
特許番号
US06544981B2

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