3-Isocyanatobenzonitrile → HCID 68817589, compound

HRID 735642Notes

Reaction equation

HRID 735642 reaction equation
[C:1]([C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:22])[O:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Br:20])=[CH:16][C:15]=2[CH3:21])[CH:6]=[CH:7][CH:8]=1)#[N:2].Br[C:24]1C=CC(CCO)=C(CC)C=1.N(C1C=C(C=CC=1)C#N)=C=O>>[C:1]([C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:22])[O:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Br:20])=[CH:16][C:15]=2[CH2:21][CH3:24])[CH:6]=[CH:7][CH:8]=1)#[N:2]

Participants

4

Reactant 3

HCID 27333153-IsocyanatobenzonitrileHCID 578427842-(4-Bromo-2-ethylphenyl)ethanolHCID 578428474-Bromo-2-methylphenethyl 3-cyanophenylcarbamate

Product 1

HCID 68817589HCID 68817589, compoundYield 57%

Procedure

Using a procedure analogous to that used to prepare 30C, 36B (687 mg, 3 mmol) was reacted with 3-isocyanatobenzonitrile (432 mg, 3 mmol) to give 56A (630 mg, 57%) as an oil. MS (ESI) m/z 373.2 (M+H)+.

Sources & evidence

ORD record
ord-c59c64fc60c54d72b6c01ed3791935bd
Source dataset
uspto-grants-2009_09
Patent number
US07592331B2

Reaction notes

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