1H-1,2,4-Triazole → Letrozole

HRID 495063

反応式

HRID 495063 の反応式
N1C=N[C:3]([CH2:6][C:7]2[CH:14]=[CH:13][C:10]([C:11]#[N:12])=[CH:9][CH:8]=2)=N1.BrCC1[CH:22]=[CH:21][C:20]([C:23]#[N:24])=[CH:19][CH:18]=1.[NH:25]1[CH:29]=[N:28][CH:27]=[N:26]1>C(#N)C.C(Cl)(Cl)Cl>[CH:13]1[C:10]([C:11]#[N:12])=[CH:9][CH:8]=[C:7]([CH:6]([N:25]2[N:26]=[CH:27][N:28]=[CH:29]2)[C:3]2[CH:18]=[CH:19][C:20]([C:23]#[N:24])=[CH:21][CH:22]=2)[CH:14]=1

参加物

6

反応物 3

HCID 92571H-1,2,4-TriazoleHCID 869964-(Bromomethyl)benzonitrileHCID 178509721HCID 178509721、化合物

生成物 1

HCID 3902Letrozole

試薬・触媒・溶媒 2

HCID 6212Chloroform溶媒HCID 6342Acetonitrile溶媒

実験手順

U.S. Pat. No. 5,473,078 (“the '078 patent”) describes a method of preparing 4-[1-(1,2,4-triazolyl)methyl]benzonitrile by refluxing a solution of α-bromo-4-tolunitrile with 1,2,4-triazole for 15 hours in a mixture of acetonitrile and chloroform. The intermediate is purified by chromatography on silica gel, eluting with chloroform and isopropanol, and then reacted with 4-fluorobenzonitrile and potassium tert-butoxide in DMF, to obtain letrozole. An exemplary process described in the '078 patent is generally depicted in Scheme 1.

後処理

  1. customThe intermediate is purified by chromatography on silica gel
  2. washeluting with chloroform and isopropanol
  3. customreacted with 4-fluorobenzonitrile and potassium tert-butoxide in DMF

出典と根拠

ORDレコード
ord-92b45117926b4c25a1e347776e8925a1
出典データセット
uspto-grants-2009_05
特許番号
US07538230B2

関連ノート

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