4-Cyano-4-phenylcyclohexanone ethylene ketal

Base Information

• Chemical Name: 4-Cyano-4-phenylcyclohexanone ethylene ketal
• CAS No.: 51509-98-9
• Molecular Formula: C15H17NO2
• Molecular Weight: 243.305
• DSSTox Substance ID: DTXSID30481489
• Nikkaji Number: J3.061.391K
• Wikidata: Q82316929
• Mol file: 51509-98-9.mol

Synonyms:51509-98-9;4-Cyano-4-phenylcyclohexanone ethylene ketal;8-Phenyl-1,4-dioxaspiro[4.5]decane-8-carbonitrile;1,4-Dioxaspiro[4.5]decane-8-carbonitrile, 8-phenyl-;8-phenyl-1,4-dioxa-spiro[4.5]decane-8-carbonitrile;SCHEMBL735822;DTXSID30481489;NGPVZFGEMDNOTA-UHFFFAOYSA-N;AT30085;FT-0770040;8-cyano-8-phenyl-1,4-dioxaspiro[4.5]decane

Chemical Property of 4-Cyano-4-phenylcyclohexanone ethylene ketal

Chemical Property:

• PSA: 42.25000
• LogP: 2.76508
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 243.125928785
• Heavy Atom Count: 18
• Complexity: 335

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC1(C#N)C3=CC=CC=C3)OCCO2

Technology Process of 4-Cyano-4-phenylcyclohexanone ethylene ketal

There total 6 articles about 4-Cyano-4-phenylcyclohexanone ethylene ketal 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: 100.0%

4-cyano-4-phenylcyclohexanone (25115-74-6) + ethylene glycol (107-21-1) → 8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonitril (51509-98-9)

Guidance literature:

toluene-4-sulfonic acid; In toluene; for 3.5h; Heating;

Reference yield: 96.0%

phenylacetonitrile (140-29-4) + 2.2-Bis-β-chlorethyl-1.3-dioxolan (75945-89-0) → 8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonitril (51509-98-9)

Guidance literature:

With sodium amide; In dimethyl sulfoxide; at 50 ℃; for 1h;

DOI:10.1002/ardp.19803130603

Reference yield: 92.7%

→ 8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonitril (51509-98-9)

Guidance literature:

upstream raw materials:

4-cyano-4-phenylcyclohexanone

phenylacetonitrile

2.2-Bis-β-chlorethyl-1.3-dioxolan

ethylene glycol

Downstream raw materials:

8-phenyl-1,4-dioxaspiro[4,5]decane

8-Phenyl-1,4-dioxaspiro<4.5>decan-8-carbonsaeure

4-cyano-4-phenylcyclohexanone

4-acetyl-4-phenylcyclohexanone