9-Methyl-trans-decalone

Base Information

• Chemical Name: 9-Methyl-trans-decalone
• CAS No.: 57458-01-2
• Molecular Formula: C₁₁H₁₈O
• Molecular Weight: 166.263
• NSC Number: 179300
• DSSTox Substance ID: DTXSID30917915
• Nikkaji Number: J354.738H
• Mol file: 57458-01-2.mol

Synonyms:938-07-8;NSC179300;2(1H)-Naphthalenone, octahydro-4a-methyl-, cis-;9-Methyl-trans-decalone;10-Methyl-trans-2-decalone;ghl.PD_Mitscher_leg0.1252;SCHEMBL1070747;DTXSID30917915;AKOS024325248;NSC-179300;4a-methyloctahydronaphthalen-2(1H)-one;4A-METHYLDECAHYDRONAPHTHALEN-2-ONE;4a-Methyloctahydro-2(1H)-naphthalenone #;2(1H)-Naphthalenone, octahydro-4a-methyl-, trans-;1,4,4a,5,6,7,8,8a-Octahydro-4a-methylnaphthalen-2(3H)-one;1,4,4A,5,6,7,8,8A-OCTAHYDRO-4A-METHYL-2(3H)-NAPHTHLENONE

Chemical Property of 9-Methyl-trans-decalone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCCCC1CC(=O)CC2

Technology Process of 9-Methyl-trans-decalone

There total 1 articles about 9-Methyl-trans-decalone 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:

→ 10-Methyl-Δ1,9-octal-2-on (938-06-7,938-07-8,56649-96-8,57458-01-2,59981-95-2,59981-96-3,72541-12-9,78420-33-4,150199-89-6)

Guidance literature:

2-Methyl-cyclohexanon, CH2=CH-CO-CH3;

DOI:10.1021/ja00721a016

Reference yield:

4a-methyl-octahydro-naphthalen-2-one (57458-01-2) → 4a-methyl-5,6,7,8-tetrahydro-2(4aH)-naphthalenone (703-02-6)

Guidance literature:

With bromine; acetic acid; Erhitzen des Reaktionsprodukts mit 2,4,6-Trimethyl-pyridin;

DOI:10.1039/jr9520001437

Reference yield:

4a-methyl-octahydro-naphthalen-2-one (57458-01-2) → trans-10-methyldecal-2-one (938-07-8) + (+-)-4a-methyl-cis-octahydro-naphthalen-2-one (938-06-7)

Guidance literature:

With pyrrolidine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; thiophenol; at 25 ℃; for 24h; Reagent/catalyst; Overall yield = 77 percent; Overall yield = 791.1 mg; Inert atmosphere; Schlenk technique; Irradiation;

DOI:10.1002/hlca.202100180

Downstream raw materials:

4a-methyl-5,6,7,8-tetrahydro-2(4aH)-naphthalenone

trans-10-methyldecal-2-one

(+-)-4a-methyl-cis-octahydro-naphthalen-2-one