3-(Trifluoromethyl)phenyl isocyanate → HCID 58834853, compound

HRID 2421923Notes

Reaction equation

HRID 2421923 reaction equation
C1(P(=[N:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2/[CH:27]=[CH:28]/[C:29]([O:31][CH3:32])=[O:30])(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[F:33][C:34]([F:45])([F:44])[C:35]1[CH:40]=[CH:39][CH:38]=[C:37]([N:41]=[C:42]=O)[CH:36]=1.[F:46][C:47]1[CH:52]=[CH:51][C:50]([N:53]2[CH2:58][CH2:57][NH:56][CH2:55][CH2:54]2)=[CH:49][CH:48]=1>>[F:46][C:47]1[CH:48]=[CH:49][C:50]([N:53]2[CH2:58][CH2:57][N:56]([C:42]3[N:41]([C:37]4[CH:38]=[CH:39][CH:40]=[C:35]([C:34]([F:45])([F:44])[F:33])[CH:36]=4)[CH:27]([CH2:28][C:29]([O:31][CH3:32])=[O:30])[C:22]4[C:21](=[CH:26][CH:25]=[CH:24][CH:23]=4)[N:20]=3)[CH2:55][CH2:54]2)=[CH:51][CH:52]=1

Participants

4

Reactant 3

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 752601-(4-Fluorophenyl)piperazineHCID 11826263HCID 11826263, compound

Product 1

HCID 58834853HCID 58834853, compound

Procedure

Starting with 5.0 g (11.43 mmol) of the iminophosphorane from Example 3A, 2.25 g (12.0 mmol) of trifluoro-m-tolyl isocyanate and 2.06 g (11.43 mmol) of N-(4-fluorophenyl)piperazine, the general procedure [E] gives 3.31 g (39% of theory) of product.

Workup

  1. customthe general procedure [E] gives 3.31 g (39% of theory) of product

Sources & evidence

ORD record
ord-b789c15cd7e14ebeb7185e3b1b1019d0
Source dataset
uspto-grants-2011_06
Patent number
US07960387B2

Reaction notes

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