Phenethyl isocyanate → HCID 57658797, compound

HRID 910051Notes

Reaction equation

HRID 910051 reaction equation
C([O:3][C:4](=[O:22])[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([Br:13])=[CH:9][C:8]=1[CH2:14][NH:15][CH2:16][C:17]([O:19]CC)=O)C.[CH2:23]([N:31]=[C:32]=[O:33])[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>>[Br:13][C:10]1[CH:11]=[CH:12][C:7]([O:6][CH2:5][C:4]([OH:3])=[O:22])=[C:8]([CH2:14][N:15]2[CH2:16][C:17](=[O:19])[N:31]([CH2:23][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[C:32]2=[O:33])[CH:9]=1

Participants

3

Reactant 2

HCID 160602Phenethyl isocyanateHCID 57658774HCID 57658774, compound

Product 1

HCID 57658797HCID 57658797, compound

Procedure

Prepared from 4-bromo-2-[(ethoxycarbonylmethylamino)methyl]phenoxyacetic acid ethyl ester and phenethylisocyanate according to GP12: LC/MS (an10p8): Rt 2.2 min, m/z 445 [M−H]−; 1H NMR (DMSO-d6): δ 2.84 (t, J=7.2 Hz, 2H), 3.59 (t, J=7.2 Hz, 2H), 3.94 (s, 2H), 4.45 (s, 2H), 4.76 (s, 2H), 6.93 (d, J=8.6 Hz, 1H), 7.17-7.46 (m, 7H), 12.45 (br. s, 1H).

Sources & evidence

ORD record
ord-8d3c990fd82948e9b90bf4fd58be2f93
Source dataset
uspto-grants-2011_09
Patent number
US08022063B2

Reaction notes

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