1H-1,2,4-Triazole → Letrozole

HRID 495063

반응식

HRID 495063 반응식
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

참가 물질

6

반응물 3

HCID 92571H-1,2,4-TriazoleHCID 869964-(Bromomethyl)benzonitrileHCID 178509721HCID 178509721, 화합물

생성물 1

HCID 3902Letrozole

시약·촉매·용매 2

HCID 6212Chloroform용매HCID 6342Acetonitrile용매

실험 절차

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.

후처리

  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

출처 및 근거

ORD 기록
ord-92b45117926b4c25a1e347776e8925a1
출처 데이터셋
uspto-grants-2009_05
특허 번호
US07538230B2

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