1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one

Base Information

Chemical Name:1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one
CAS No.:138335-21-4
Molecular Formula:C₂₃H₂₇F₃N₂O₂
Molecular Weight:420.475
Hs Code.:
DSSTox Substance ID:DTXSID30875440
Mol file:138335-21-4.mol

Synonyms:1-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one;SQ 32910;SQ-32,910

Suppliers and Price of 1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:420.20246259
Heavy Atom Count:30
Complexity:575

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(CC2=C(C=CC=C2N(C1=O)CCN(C)C)C(F)(F)F)C3=CC=C(C=C3)OC

Technology Process of 1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-one

There total 18 articles about 1-(2-(Dimethylamino)ethyl)-1,3,4,5-tetrahydro-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-2H-1-benzazepine-2-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:

: 138573-29-2
2-[1-(4-Methoxy-phenyl)-2-(2-nitro-6-trifluoromethyl-phenyl)-ethyl]-2-methyl-malonic acid dimethyl ester

: 138335-21-4
(3S,4S)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-methyl-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / 10percent Pd/C / acetonitrile / 4 h / 2068.6 Torr

2: MeONa / methanol / 3 h / Heating

3: LiBr / dimethylformamide / 4 h / Heating

4: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, toluene, heating, 2 h

With hydrogen; sodium methylate; sodium hydride; lithium bromide; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00082a020

Reference yield:

: 111604-99-0
[1-(4-Methoxyphenyl)-2-[2-nitro-6-(trifluoromethyl)phenyl]ethyl]propanedioic acid,dimethyl ester

: 138335-21-4
(3S,4S)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-methyl-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaH / 1.) DMF, 0 deg C, 20 min, 2.) DMF, 0 deg C, 4 h

2: H₂ / 10percent Pd/C / acetonitrile / 4 h / 2068.6 Torr

3: MeONa / methanol / 3 h / Heating

4: LiBr / dimethylformamide / 4 h / Heating

5: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, toluene, heating, 2 h

With hydrogen; sodium methylate; sodium hydride; lithium bromide; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00082a020

Reference yield:

: 6656-49-1
2-methyl-1-nitro-3-(trifluoromethyl)benzene

: 138335-21-4
(3S,4S)-1-(2-Dimethylamino-ethyl)-4-(4-methoxy-phenyl)-3-methyl-6-trifluoromethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Guidance literature:: Multi-step reaction with 6 steps

1: NaH / dimethylformamide / Ambient temperature

2: 1.) NaH / 1.) DMF, 0 deg C, 20 min, 2.) DMF, 0 deg C, 4 h

3: H₂ / 10percent Pd/C / acetonitrile / 4 h / 2068.6 Torr

4: MeONa / methanol / 3 h / Heating

5: LiBr / dimethylformamide / 4 h / Heating

6: 1.) NaH / 1.) DMF, RT, 1 h, 2.) DMF, toluene, heating, 2 h

With hydrogen; sodium methylate; sodium hydride; lithium bromide; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm00082a020