1-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzene → 1-[4-(5-Chloro-2-benzothiazolylthio)phenyl]-3-(4-chloro-3-trifluoromethylphenyl)thiourea

HRID 55085Notes

Reaction equation

HRID 55085 reaction equation
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[S:10][C:11]3[CH:17]=[CH:16][C:15]([Cl:18])=[CH:14][C:12]=3[N:13]=2)=[CH:4][CH:3]=1.[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([N:26]=[C:27]=[S:28])=[CH:22][C:21]=1[C:29]([F:32])([F:31])[F:30]>>[Cl:18][C:15]1[CH:16]=[CH:17][C:11]2[S:10][C:9]([S:8][C:5]3[CH:4]=[CH:3][C:2]([NH:1][C:27]([NH:26][C:23]4[CH:24]=[CH:25][C:20]([Cl:19])=[C:21]([C:29]([F:32])([F:30])[F:31])[CH:22]=4)=[S:28])=[CH:7][CH:6]=3)=[N:13][C:12]=2[CH:14]=1

Participants

3

Reactant 2

HCID 5200261-Chloro-4-isothiocyanato-2-(trifluoromethyl)benzeneHCID 18971644HCID 18971644, compound

Product 1

HCID 189716811-[4-(5-Chloro-2-benzothiazolylthio)phenyl]-3-(4-chloro-3-trifluoromethylphenyl)thioureaYield 24%

Procedure

2-(4-aminophenylthio)-5-chlorobenzothiazole (5.5 moles, 1.6 g) and 4-chloro-3-trifluoromethylphenylisothiocyanate (5.5 moles, 1.3 g) were reacted according to procedure C to yield the title compound 0.7 g, 24%. Mass Spec (FD 529. Calculated for C21H12C12F3N3S3 : C, 47.55; H, 2.28; N, 7.92. Found: C, 47.55; H, 3.32; N, 7.87.

Sources & evidence

ORD record
ord-bd2f1a63ea9240cfb5d718921ee82ec1
Source dataset
uspto-grants-1997_04
Patent number
US05624937

Reaction notes

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