3-[1-(1,3-Dioxolan-2-yl)cyclohexyl]propanenitrile

Base Information

• Chemical Name: 3-[1-(1,3-Dioxolan-2-yl)cyclohexyl]propanenitrile
• CAS No.: 67625-75-6
• Molecular Formula: C12H19NO2
• Molecular Weight: 209.288
• DSSTox Substance ID: DTXSID70444018
• Nikkaji Number: J2.047.814D
• Wikidata: Q82262021
• Mol file: 67625-75-6.mol

Synonyms:3-[1-(1,3-dioxolan-2-yl)cyclohexyl]propanenitrile;67625-75-6;SCHEMBL11012330;DTXSID70444018;1-(2-Cyanoethyl)cyclohexanecarbaldehyde ethylene acetal

Chemical Property of 3-[1-(1,3-Dioxolan-2-yl)cyclohexyl]propanenitrile

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.141578849
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(CCC#N)C2OCCO2

Technology Process of 3-[1-(1,3-Dioxolan-2-yl)cyclohexyl]propanenitrile

There total 8 articles about 3-[1-(1,3-Dioxolan-2-yl)cyclohexyl]propanenitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

1-(2-cyanoethyl)-1-formylcyclohexane (58886-81-0) + ethylene glycol (107-21-1) → 1-(2-cyanoethyl)-1-(1,3-dioxolanyl)cyclohexane (67625-75-6)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 3h; Heating;

Reference yield:

1-(2-cyanoethyl)-1-formylcyclohexane (58886-81-0) → 1-(2-cyanoethyl)-1-(1,3-dioxolanyl)cyclohexane (67625-75-6)

Guidance literature:

With toluene-4-sulfonic acid; In ethylene glycol; benzene;

Reference yield:

ethylene glycol (107-21-1) + 3-[1-(tert-butylimino-methyl)-cyclohexyl]-propionitrile (1026642-60-3) → 1-(2-cyanoethyl)-1-(1,3-dioxolanyl)cyclohexane (67625-75-6)

Guidance literature:

3-[1-(tert-butylimino-methyl)-cyclohexyl]-propionitrile; With hydrogenchloride; at 20 ℃; for 3h;

ethylene glycol; With sulfuric acid; In toluene; for 12h; Heating;

DOI:10.1002/(sici)1099-0690(199909)1999:9<2433::aid-ejoc2433>3.0.co;2-x

upstream raw materials:

1-(2-cyanoethyl)-1-formylcyclohexane

ethylene glycol

3-[1-(tert-butylimino-methyl)-cyclohexyl]-propionitrile

N-(cyclohexylmethylene)-2-methylpropan-2-amine

Downstream raw materials:

3-(1-[1,3]Dioxolan-2-yl-cyclohexyl)-propylamine

3-(1-[1,3]dioxolan-2-yl-cyclohexyl)-1-ethyl-propylamine

N-[3-(1-[1,3]dioxolan-2-yl-cyclohexyl)-propyl]-3-hydroxy-propionamide

4-benzyloxy-N-[3-(1-[1,3]dioxolan-2-yl-cyclohexyl)-propyl]-3-hydroxy-butyramide