Isopropyl isocyanate → HCID 59656494, compound

HRID 1726474Notes

Reaction equation

HRID 1726474 reaction equation
[F:1][C:2]1[CH:24]=[CH:23][CH:22]=[C:21]([C:25]([F:28])([F:27])[F:26])[C:3]=1[C:4]([NH:6][C:7]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[C:10]([S:17](Cl)(=[O:19])=[O:18])=[CH:9][CH:8]=1)=[O:5].[N:29]([CH:32]([CH3:34])C)=[C:30]=[O:31]>C(N(CC)CC)C>[C:30]([N:29]1[CH2:32][CH2:34][CH:4]([NH:6][S:17]([C:10]2[C:11]3[C:16](=[CH:15][CH:14]=[CH:13][CH:12]=3)[C:7]([NH:6][C:4](=[O:5])[C:3]3[C:21]([C:25]([F:28])([F:27])[F:26])=[CH:22][CH:23]=[CH:24][C:2]=3[F:1])=[CH:8][CH:9]=2)(=[O:19])=[O:18])[CH2:3][CH2:2]1)(=[O:31])[CH2:8][CH2:7][CH3:16]

Participants

4

Reactant 2

HCID 61277Isopropyl isocyanateHCID 86594782HCID 86594782, compound

Product 1

HCID 59656494HCID 59656494, compound

Reagents, catalysts & solvents 1

HCID 8471TriethylamineSolvent

Procedure

The title compound was prepared following the general procedure in Scheme 5, beginning with 4-(2-fluoro-6-trifluoromethyl-benzoylamino)-naphthalene-1-sulfonyl chloride and substituting butyric chloride and triethylamine for 2-isocyanato-propane. 1H NMR (300 MHz, DMSO) δ 11.12 (s, 1H), 8.71 (m, 1H), 8.26 (m, 2H), 8.13 (m, 1H), 7.98 (d, 1H), 7.79 (m, 6H), 4.01 (d, 1H), 3.60 (d, 1H), 2.93 (t, 1H), 2.59 (m, 2H), 2.15 (t, 2H), 1.45 (m, 2H), 1.43 (q, 2H), 1.17 (m, 2H), 0.81 (t, 3H). LC/MS m/z 514 (M−H)−, 516 (M+H)+

Sources & evidence

ORD record
ord-ebfe88bbd6964aa4a6f75be7952cd5a6
Source dataset
uspto-grants-2009_02
Patent number
US07491827B2

Reaction notes

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