4-Chlorophenyl Isocyanate → HCID 13953715, compound

HRID 2081832Notes

Reaction equation

HRID 2081832 reaction equation
C(O)=O.[C:4]1([C:10]2[C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=3[N:14]3[CH:21]=[N:22][N:23]=[C:13]3[CH:12]([NH2:24])[N:11]=2)[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([N:32]=[C:33]=[O:34])=[CH:28][CH:27]=1.C(N(CC)CC)C>O1CCCC1>[Cl:25][C:26]1[CH:31]=[CH:30][C:29]([NH:32][C:33]([NH:24][CH:12]2[N:11]=[C:10]([C:4]3[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=3)[C:16]3[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=3[N:14]3[CH:21]=[N:22][N:23]=[C:13]23)=[O:34])=[CH:28][CH:27]=1

Participants

5

Reactant 3

HCID 76934-Chlorophenyl IsocyanateHCID 8471TriethylamineHCID 13953712HCID 13953712, compound

Product 1

HCID 13953715HCID 13953715, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

6-Phenyl-4H-[1,2,4]triazolo-[4,3-a][1,4]benzodiazepin-4-ylamine formate salt (200 mg, 0.38 mmole) was combined with 4-chlorophenylisocyanate (57 mg, 0.37 mmole) and triethylamine (57 μL) in 10 mL of dry tetrahydrofuran. The mixture was allowed to stand at room temperature overnight. The analytically pure product, which crystallized from solution was collected and dried: m.p. 294°-296° C.

Workup

  1. customThe analytically pure product, which crystallized from solution
  2. customwas collected
  3. customdried

Sources & evidence

ORD record
ord-6097948659fe40eb86c3bb30e756a160
Source dataset
uspto-grants-1993_02
Patent number
US05185331

Reaction notes

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