4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one

Base Information

Chemical Name:4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one
CAS No.:18680-70-1
Molecular Formula:C11H16O
Molecular Weight:164.2441
Hs Code.:
NSC Number:99607
DSSTox Substance ID:DTXSID40295099

Synonyms:18680-70-1;4a-methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one;NSC99607;DTXSID40295099;NSC-99607

Suppliers and Price of 4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of 4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one

Chemical Property:

Vapor Pressure:0.0319mmHg at 25°C
Boiling Point:243.5°Cat760mmHg
Flash Point:95.3°C
Density:1.007g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:164.120115130
Heavy Atom Count:12
Complexity:229

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)CC1CCC=C2

Technology Process of 4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one

There total 16 articles about 4a-Methyl-3,4,4a,7,8,8a-hexahydronaphthalen-2(1h)-one 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%

: (4aR,8aR)-4a-Methyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-2-ol

: 18680-70-1,22489-59-4,80800-81-3,150931-94-5
4aβ-Methyl-3,4,4a,7,8,8a-hexahydronaphthalin-2(1)-on

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 0.5h;
DOI:10.1021/jo00070a023

Reference yield:

: 20007-99-2,33878-99-8,100348-93-4,20007-72-1
Wieland-Miescher ketone

: 18680-70-1,22489-59-4,80800-81-3,150931-94-5
4aβ-Methyl-3,4,4a,7,8,8aβ-hexahydronaphthalin-2(1H)-on

Guidance literature:: Multi-step reaction with 3 steps

1: (i) NaBH₄, (ii) /BRN= 607898/, Py

2: H₂ / Pd-SrCO₃ / ethyl acetate

3: Py

With pyridine; hydrogen; Pd/SrCO₃; In ethyl acetate;
DOI:10.1021/ja00992a032

Reference yield:

: 6694-96-8,18680-54-1,127825-64-3
(1α,8aα)-(8a-Methyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-1-naphthyl)-p-toluolsulfonat

: 18680-70-1,22489-59-4,80800-81-3,150931-94-5
4aβ-Methyl-3,4,4a,7,8,8aβ-hexahydronaphthalin-2(1H)-on

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd-SrCO₃ / ethyl acetate

2: Py

With pyridine; hydrogen; Pd/SrCO₃; In ethyl acetate;
DOI:10.1021/ja00992a032