Butyl isocyanate → HCID 11437011, compound

HRID 736629Notes

Reaction equation

[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[S:9][NH:8][C:7](=[O:10])[C:6]=2[CH:11]=1.[CH2:12]([N:16]=[C:17]=[O:18])[CH2:13][CH2:14][CH3:15]>>[CH2:12]([NH:16][C:17]([N:8]1[C:7](=[O:10])[C:6]2[CH:11]=[C:2]([CH3:1])[CH:3]=[CH:4][C:5]=2[S:9]1)=[O:18])[CH2:13][CH2:14][CH3:15]

Participants

Reactant 2

HCID 8110Butyl isocyanate

HCID 20299939HCID 20299939, compound

Product 1

HCID 11437011HCID 11437011, compound

Procedure

Following the synthetic procedure of 6a as described in Example 1, compound 6t (98% yield) was synthesized from 5-methyl-benzo[d]isothiazol-3-one and n-butyl isocyanate as a white solid. IR(KBr) 3268, 1708, 1650, 1534 cm−1; 1H-NMR (CDCl3) δ0.96 (t, J=7.3 Hz, 3H), 1.38-1.48 (m, 2H), 1.60-1.67 (m, 2H), 2.46 (s, 3H), 3.41-3.47.(t, 2H), 7.46 (d, J=7.8 Hz, 1H), 7.51 (d, J=7.8 Hz, 1H), 7.80 (s, 1H), 8.88 (br s, 1H); ESIMS m/e 265 (M++1).

Sources & evidence

ORD record: ord-d3748f509f2e46058202e9718912452d
Source dataset: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07595403B2

Reaction notes

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