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Ethyl isocyanate → Urea, N-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-ethyl-

HRID 848138
Notes
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Reaction equation

HRID 848138 reaction equation
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[CH2:9][N:8]=[C:7]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[F:20])[C:6]=2[C:21]=1[Cl:22].[CH2:23]([N:25]=[C:26]=[O:27])[CH3:24]>>[Cl:22][C:21]1[C:6]2[C:7]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[F:20])=[N:8][CH2:9][C:10](=[O:13])[N:11]([CH3:12])[C:5]=2[CH:4]=[CH:3][C:2]=1[NH:1][C:26]([NH:25][CH2:23][CH3:24])=[O:27]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 8022Ethyl isocyanateHCID 20562334HCID 20562334, compound

Product 1

HCID 3058277Urea, N-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N(sup 1)-ethyl-

Procedure

5 g (0.016 M) of 7-amino-6-chloro-5-(o-fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one are heated at reflux with 15 ml of ethylisocyanate under nitrogen for 7 hours. The mixture is poured on to methanol/ice-water and extracted with methylene chloride. The organic phase is separated, dried with sodium sulphate, filtered and concentrated. The residue is purified on a 300 g silica gel column using ethyl acetate as the eluting agent and crystallised from ethyl acetate/ether. There is obtained 1-[6-chloro-5-(o-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1H-1,4-benzodiazepin-7-yl]-3-ethylurea which melts at 155°-160° C. with decomposition.

Workup

  1. extractionextracted with methylene chloride
  2. customThe organic phase is separated
  3. dry with materialdried with sodium sulphate
  4. filtrationfiltered
  5. concentrationconcentrated
  6. customThe residue is purified on a 300 g silica gel column
  7. customcrystallised from ethyl acetate/ether

Sources & evidence

ORD record
ord-8aae01fa1a404fd6a18909aae171714c
Source dataset
uspto-grants-1981_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US04294758

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes