1-Phenyl-3-nonanone

Base Information

• Chemical Name: 1-Phenyl-3-nonanone
• CAS No.: 56741-23-2
• Molecular Formula: C15H22O
• Molecular Weight: 218.339
• DSSTox Substance ID: DTXSID50465443
• Nikkaji Number: J407.848I
• Wikidata: Q63399045
• Mol file: 56741-23-2.mol

Synonyms:1-phenyl-3-nonanone;56741-23-2;SCHEMBL4392253;DTXSID50465443;QQSUQZXKESWTCP-UHFFFAOYSA-N;AKOS011914541;Q63399045

Chemical Property of 1-Phenyl-3-nonanone

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)CCC1=CC=CC=C1

Technology Process of 1-Phenyl-3-nonanone

There total 25 articles about 1-Phenyl-3-nonanone 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-hexene (592-41-6,25067-06-5) + N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine (256379-28-9) → tridecan-7-one (462-18-0) + 1-phenyl-nonan-3-one (56741-23-2)

Guidance literature:

1-hexene; N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine; With tricyclohexylphosphine; [Rh(C₈H₁₄)2Cl]2; at 170 ℃; for 0.5h;

With hydrogenchloride; Further stages.;

DOI:10.1021/ol990357b

Reference yield: 91.0%

hexyl-methyl-ketone (111-13-7) + benzyl alcohol (100-51-6,185532-71-2) → 1-phenyl-nonan-3-one (56741-23-2)

Guidance literature:

With barium hydroxide monohydrate; water; palladium nanoparticles in poly(viologen); at 100 ℃; for 24h;

DOI:10.1021/ol060166q

Reference yield: 91.0%

6-dodecyne (6975-99-1) + N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine (256379-28-9) → 1-phenyl-nonan-3-one (56741-23-2)

Guidance literature:

6-dodecyne; N-(3-methyl-2-pyridyl)-N-[(E)-3-phenyl-2-propenyl]amine; With Wilkinson's catalyst; cyclohexylamine; In toluene; at 130 ℃; for 12h;

With water; hydrogen cation; Further stages.;

DOI:10.1021/ja011053z

upstream raw materials:

oenanthic acid

3-Phenylpropionic acid

styrene

carbon monoxide

Downstream raw materials:

1-Phenethyl-1-<3-cyclohexyl-propyl>-heptan

Refernces

• 1、 Pandey, Bedraj,Xu, Shi,Ding, Keying. "Selective Ketone Formations via Cobalt-Catalyzed β-Alkylation of Secondary Alcohols with Primary Alcohols". supporting information. p. 7420 - 7423. Retrieved 2019/10/02.
• 2、 Chang, Weihong,Gong, Xue,Wang, Shuizhong,Xiao, Ling-Ping,Song, Guoyong. "Acceptorless dehydrogenation and dehydrogenative coupling of alcohols catalysed by protic NHC ruthenium complexes". supporting information. p. 3466 - 3471. Retrieved 2017/04/26.