Cyclohexyl isocyanate → HCID 23192921, compound

HRID 1707224Notes

Reaction equation

[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([C:10]([N:13]=[C:14]=O)([CH3:12])[CH3:11])[CH:5]=1)=[CH2:3].[CH:16]1([N:22]=C=O)[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]1>>[CH:16]1([N:22]=[C:14]=[N:13][C:10]([C:6]2[CH:7]=[CH:8][CH:9]=[C:4]([C:2]([CH3:1])=[CH2:3])[CH:5]=2)([CH3:12])[CH3:11])[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]1

Participants

Reactant 2

HCID 18502Cyclohexyl isocyanate

HCID 6041521-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

Product 1

HCID 23192921HCID 23192921, compound

Conditions

Temperature: 150 °C

Procedure

We combined 0.0830 g TPAO, 60.41 g of m-TMI, and 25.04 g cyclohexylisocyanate. After heating at 150° C. for 7 hours, IR showed nearly complete conversion of isocyanates to carbodiimides. 1H--NMR indicated the desired product contaminated with 1,3-dicyclohexylcarbodiimide, and 1,3-bis[2-(3-isopropenylphenyl)-2propyl]carbodiimide.

Sources & evidence

ORD record: ord-efb174a63a68432a8b04e01ff822c804
Source dataset: uspto-grants-1994_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05352400

Reaction notes

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