Benzyl isocyanate → HCID 44389623, compound

HRID 404205Notes

Reaction equation

HRID 404205 reaction equation
[SH:1][CH2:2][C:3]([NH:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][NH:11]C(NC1C=CC=CC=1)=O)=[O:4].[CH2:21]([N:28]=[C:29]=[O:30])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>>[CH2:21]([NH:28][C:29](=[O:30])[NH:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][NH:5][C:3](=[O:4])[CH2:2][SH:1])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1

Participants

3

Reactant 2

HCID 76639Benzyl isocyanateHCID 44389608N-{5-[(Phenylcarbamoyl)amino]pentyl}-2-sulfanylacetamide

Product 1

HCID 44389623HCID 44389623, compound

Procedure

Compound 11 was prepared using the methodology described for the preparation of Compound 9, by substituting phenylisocyanate with benzylisocyanate. 1H NMR (300 MHz, DMSO-d6) δ (ppm) 7.98 (br s, 1H), 7.35-7.18 (m, 5H), 6.27 (br s, 1H), 5.91 (br s, 1H), 4.19 (s, 2H), 3.07 (d, J=8.1 Hz, 2H), 3.02 (m, 4H), 2.71 (t, J=8.1 Hz, 1H), 1.37 (m, 4H), 1.26 (m, 2H). 13C NMR (75 MHz, DMSO-d6) δ (ppm) 169.4, 158.1, 141.0, 128.2, 127.0, 126.5, 42.9, 39.2, 38.8, 29.7, 28.7, 27.1, 23.7.

Sources & evidence

ORD record
ord-01533009c7e44e189c33fdab0b3e65b8
Source dataset
uspto-grants-2014_06
Patent number
US08748463B2

Reaction notes

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