3-Fluoro-5-(trifluoromethyl)benzonitrile → HCID 46897126, compound

HRID 2408156Notes

Reaction equation

HRID 2408156 reaction equation
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:4]=[C:5]([CH:8]=[C:9](F)[CH:10]=1)[C:6]#[N:7].[F:14][C:15]([F:44])([F:43])[O:16][C:17]1[CH:22]=[CH:21][C:20]([C@H:23]([OH:42])[C@@H:24]([C:28]2[CH:41]=[CH:40][C:31]([C:32]([NH:34][CH2:35][CH2:36][C:37]([OH:39])=[O:38])=[O:33])=[CH:30][CH:29]=2)[CH2:25][CH2:26][CH3:27])=[CH:19][CH:18]=1>>[F:14][C:15]([F:43])([F:44])[O:16][C:17]1[CH:22]=[CH:21][C:20]([C@H:23]([O:42][C:9]2[CH:10]=[C:3]([C:2]([F:13])([F:12])[F:1])[CH:4]=[C:5]([C:6]#[N:7])[CH:8]=2)[C@@H:24]([C:28]2[CH:29]=[CH:30][C:31]([C:32]([NH:34][CH2:35][CH2:36][C:37]([OH:39])=[O:38])=[O:33])=[CH:40][CH:41]=2)[CH2:25][CH2:26][CH3:27])=[CH:19][CH:18]=1

Participants

3

Reactant 2

HCID 5190373-Fluoro-5-(trifluoromethyl)benzonitrileHCID 86660370HCID 86660370, compound

Product 1

HCID 46897126HCID 46897126, compound

Procedure

Using the procedure from EXAMPLE 75, 3-trifluoromethyl-5-fluorobenzonitrile and N-(4-{(1R)-1-[(R)-(4-trifluoromethoxyphenyl)(hydroxy)methyl]butyl}benzoyl)-β-alanine were converted to the title compound. LC3 4.01 min. (M+H)+ 609.

Sources & evidence

ORD record
ord-e596ddb38aed485f8f709f402e2395b5
Source dataset
uspto-grants-2014_08
Patent number
US08809579B2

Reaction notes

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