Ethyl 3-isocyanatobenzoate → HCID 69797945, compound

HRID 967802Notes

Reaction equation

HRID 967802 reaction equation
[C:1]12([O:11][CH2:12][C:13]3[C:17](Br)=[C:16]([O:19][CH3:20])[N:15]([CH:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)[N:14]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C([Li])CCC.[CH2:32]([O:34][C:35]([C:37]1[CH:38]=[C:39]([N:43]=[C:44]=[O:45])[CH:40]=[CH:41][CH:42]=1)=[O:36])[CH3:33]>>[CH2:32]([O:34][C:35](=[O:36])[C:37]1[CH:42]=[CH:41][CH:40]=[C:39]([NH:43][C:44]([C:17]2[C:13]([CH2:12][O:11][C:1]34[CH2:10][CH:5]5[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]5)[CH2:2]3)[CH2:8]4)=[N:14][N:15]([CH:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)[C:16]=2[O:19][CH3:20])=[O:45])[CH:38]=1)[CH3:33]

Participants

4

Reactant 3

HCID 589806Ethyl 3-isocyanatobenzoateHCID 222919973-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazoleHCID 178418339Butyllithium

Product 1

HCID 69797945HCID 69797945, compound

Procedure

The compound was prepared by treating 3-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazole with n-butyl lithium and 3-ethoxycarbonylphenyl isocyanate as outlined in Reaction Scheme 4.

Workup

  1. customThe compound was prepared
  2. customas outlined in Reaction Scheme 4

Sources & evidence

ORD record
ord-80f314bec98f4d5ab6cec140260bf8b9
Source dataset
uspto-grants-2005_10
Patent number
US06956053B2

Reaction notes

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