6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Base Information

Chemical Name:6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine
CAS No.:72912-25-5
Molecular Formula:C₁₉H₂₂FNO₃
Molecular Weight:331.387
Hs Code.:
DSSTox Substance ID:DTXSID801138333

Synonyms:SCHEMBL11294171;DTXSID801138333;6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine;72912-25-5

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

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Chemical Property of 6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:331.15837173
Heavy Atom Count:24
Complexity:389

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)OC)OC)F

Technology Process of 6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine

There total 12 articles about 6-Fluoro-2,3,4,5-tetrahydro-7,8-dimethoxy-1-(4-methoxyphenyl)-1H-3-benzazepine 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: 78.0%

: 95413-95-9
N-<2-hydroxy-2-(4-methoxyphenyl)>-2-(3,4-dimethoxy-2-fluorophenyl)ethylamine

: 72912-25-5
6-Fluoro-7,8-dimethoxy-1-(4-methoxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Guidance literature:: With trifluorormethanesulfonic acid; In trifluoroacetic acid; for 4h; Heating;
DOI:10.1021/jm00384a006

Reference yield:

: 637-69-4,24936-44-5
4-Methoxystyrene

: 72912-25-5
6-Fluoro-7,8-dimethoxy-1-(4-methoxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Guidance literature:: Multi-step reaction with 5 steps

1: 86.4 percent / Br₂ / CH₂Cl₂ / -5 - 0 °C

2: 95 percent / MgSO₄, MgO / 1.25 h / Heating

3: K₂CO₃ / dimethylformamide / 2 h / 110 °C

4: 10percent aq. H₂SO₄ / Heating

5: 71 percent / TFA, 36 N aq. H₂SO₄ / 3.5 h / 25 °C

With sulfuric acid; bromine; magnesium oxide; magnesium sulfate; potassium carbonate; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00161a029

Reference yield:

: 19484-05-0
1-((4-methoxy)phenyl)-1,2-dibromoethane

: 72912-25-5
6-Fluoro-7,8-dimethoxy-1-(4-methoxy-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / MgSO₄, MgO / 1.25 h / Heating

2: K₂CO₃ / dimethylformamide / 2 h / 110 °C

3: 10percent aq. H₂SO₄ / Heating

4: 71 percent / TFA, 36 N aq. H₂SO₄ / 3.5 h / 25 °C

With sulfuric acid; magnesium oxide; magnesium sulfate; potassium carbonate; trifluoroacetic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00161a029