Octadecyl isocyanate → HCID 86740087, compound

HRID 462478Notes

Reaction equation

HRID 462478 reaction equation
[CH:1]([NH:8][C:9](=[N:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[S:10][CH2:11][CH:12]=[CH2:13])([CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[CH3:2].[CH2:23]([N:41]=[C:42]=[O:43])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40]>O1CCCC1>[CH:1]([N:8]([C:42](=[O:43])[NH:41][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])[C:9](=[N:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[S:10][CH2:11][CH:12]=[CH2:13])([CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[CH3:2]

Participants

4

Reactant 2

HCID 66988Octadecyl isocyanateHCID 20398507HCID 20398507, compound

Product 1

HCID 86740087HCID 86740087, compound

Reagents, catalysts & solvents 1

HCID 8028TetrahydrofuranSolvent

Procedure

The procedure and equipment were the same as in Example 26. 1.9 g (0.006 mole) 1-sec-heptyl-3-n-octyl-2-S-allyl isothiourea was mixed with 25 ml of tetrahydrofuran to which 1.77 g (0.006 mole) n-octadecylisocyanate was added to the mixture. The reaction mixture was then stirred at ambient temperature overnight and then vacuum evaporated to produce 3.79 g (100 weight percent of theory yield) of a clear liquid having a nD30 of 1.4769. The product was identified as the title product by IR and NMR spectra analyses. Compound No. 144 in Table I.

Workup

  1. additionwas added to the mixture
  2. customvacuum evaporated
  3. customto produce
  4. custom3.79 g (100 weight percent of theory yield) of a clear liquid

Sources & evidence

ORD record
ord-2c71a8ee8d734e10a9fc021821f55605
Source dataset
uspto-grants-1985_05
Patent number
US04515813

Reaction notes

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