3,5-Bis(trifluoromethyl)benzoyl chloride → HCID 86670747, compound

HRID 878127Notes

Reaction equation

HRID 878127 reaction equation
[CH2:1]([O:8][C:9](=[O:27])[NH:10][CH2:11][CH2:12][NH:13][C:14]1[CH:15]=[N:16][CH:17]=[CH:18][C:19]=1[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[Cl:26])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:28][C:29]([F:44])([F:43])[C:30]1[CH:31]=[C:32]([CH:36]=[C:37]([C:39]([F:42])([F:41])[F:40])[CH:38]=1)[C:33](Cl)=[O:34]>CCCCCCC.CCOC(C)=O>[CH2:1]([O:8][C:9](=[O:27])[NH:10][CH2:11][CH2:12][N:13]([C:33](=[O:34])[C:32]1[CH:36]=[C:37]([C:39]([F:40])([F:41])[F:42])[CH:38]=[C:30]([C:29]([F:28])([F:43])[F:44])[CH:31]=1)[C:14]1[CH:15]=[N:16][CH:17]=[CH:18][C:19]=1[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[Cl:26])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

Participants

4

Reactant 2

HCID 1018563,5-Bis(trifluoromethyl)benzoyl chlorideHCID 70663283HCID 70663283, compound

Product 1

HCID 86670747HCID 86670747, compound

Reagents, catalysts & solvents 1

HCID 21899848Ethylacetate heptaneSolvent

Procedure

The title compound was prepared in analogy to example 72, intermediate, from {2-[4-(2-chloro-phenyl)-pyridin-3-ylamino]ethyl}-carbamic acid benzyl ester and 3,5-bis(trifluoromethyl)benzoyl chloride (CAS RN 1271-19-8) and using a gradient of n-heptane:EtOAc (100:0 to 0:100) for the chromatographic purification. Light brown solid (36%). MS (ESI): m/z=622.13 [M+H]+.

Workup

  1. customfor the chromatographic purification

Sources & evidence

ORD record
ord-35813f265bd343f0861c6e9b05cc816e
Source dataset
uspto-grants-2015_03
Patent number
US08987307B2

Reaction notes

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