(4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-one

Base Information

Chemical Name:(4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-one
CAS No.:61528-04-9
Molecular Formula:C17H23NO2
Molecular Weight:273.375
Hs Code.:
DSSTox Substance ID:DTXSID70512660
Nikkaji Number:J1.688.272K

Synonyms:61528-04-9;DTXSID70512660;BFKQPZKYXOYDQH-WMLDXEAASA-N;(4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-one;(+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-decahydro4a-(3-methoxyphenyl)-2-methyl-6-isoquinolinone

Suppliers and Price of (4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-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
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Total 0 raw suppliers

Chemical Property of (4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-one

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:273.172878976
Heavy Atom Count:20
Complexity:370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC2(CC(=O)CCC2C1)C3=CC(=CC=C3)OC
Isomeric SMILES:CN1CC[C@@]2(CC(=O)CC[C@H]2C1)C3=CC(=CC=C3)OC

Technology Process of (4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-one

There total 11 articles about (4aS,8aR)-4a-(3-Methoxyphenyl)-2-methyloctahydroisoquinolin-6(2H)-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: 92.0%

: 61528-20-9
2-methyl-4aα-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8aβ-decahydro-6α-isoquinolinol

: 61528-04-9
2-methyl-4aα-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8aβ-decahydro-6-oxoisoquinoline

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -55 ℃; for 0.25h;
DOI:10.1021/jo00267a039

Reference yield: 91.0%

: 61528-21-0
2-methyl-4aα-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8aβ-decahydro-6β-isoquinolinol

: 61528-04-9
2-methyl-4aα-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8aβ-decahydro-6-oxoisoquinoline

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -55 ℃; for 0.25h;
DOI:10.1021/jo00267a039

Reference yield:

: 118724-77-9
(1S^*,3S^*,5S^*)-3-(2-bromoethyl)-5-(3-methoxyphenyl)-8-methyl-2-oxa-8-azabicyclo<3.3.1>nonane

: 61528-04-9
2-methyl-4aα-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8aβ-decahydro-6-oxoisoquinoline

Guidance literature:: Multi-step reaction with 4 steps

1: 10.8 g / TFA / 1 h / Ambient temperature

2: K₂CO₃ / acetonitrile / 2 h / Heating

3: 1.) K₂CO₃, MeOH, 2.) H₂ / 2.) PtO₂ / 1.) EtOH, 60 psi, 16 h, 2.) RT, 2 h

4: 91 percent / DMSO, oxalyl chloride / CH₂Cl₂ / 0.25 h / -55 °C

With methanol; oxalyl dichloride; hydrogen; potassium carbonate; dimethyl sulfoxide; trifluoroacetic acid; platinum(IV) oxide; In dichloromethane; acetonitrile;
DOI:10.1021/jo00267a039