Hydrogen Cyanide → Isophorone

반응식

[O:1]=[C:2]1[CH2:9][C:6]([CH3:8])([CH3:7])[CH2:5][C:4]([CH3:10])=[CH:3]1.COC(=O)[O-].C([N+](C)(C)C)CCC.[CH:24]#[N:25].OP(O)(O)=O>>[O:1]=[C:2]1[CH2:9][C:6]([CH3:8])([CH3:7])[CH2:5][C:4]([CH3:10])=[CH:3]1.[C:24]([C:4]1([CH3:10])[CH2:5][C:6]([CH3:8])([CH3:7])[CH2:9][C:2](=[O:1])[CH2:3]1)#[N:25]

참가 물질

반응물 4

HCID 768Hydrogen Cyanide

HCID 1004Phosphoric Acid

HCID 6544Isophorone2회

HCID 10921347Butyltrimethylammonium methylcarbonate

생성물 2

HCID 6544Isophorone

HCID 990683-Cyano-3,5,5-trimethylcyclohexanone

실험 절차

To 622 g (4.5 mol) of isophorone in the presence of 4.14 g (0.02mol) of butyltrimethylammonium methylcarbonate there are added 288.3 g of a mixture of 3 mol of HCN and 1.5 mol of isophorone over a period of 120 min and at a temperature of 115° C. Following neutralization with 4 g of H3PO4 the mixture is distilled. There are obtained 424.3 g of isophorone and 478.3 g of 3-cyano-3,5,5-trimethylcyclohexanone. This is equivalent to a yield of 98.8% based on converted isophorone and 96.5% based on HCN used.