SKF 83959 hydrobromide

Base Information

• Chemical Name: SKF 83959 hydrobromide
• CAS No.: 67287-95-0
• Molecular Formula: C18H20ClNO2•BrH
• Molecular Weight: 398.73
• UNII: 7NB1Z2NM8O
• DSSTox Substance ID: DTXSID9042629
• Pharos Ligand ID: T87A7CLNZ9M9
• ChEMBL ID: CHEMBL520992
• Mol file: 67287-95-0.mol

Synonyms:SKF 83959 hydrobromide;SKF-83959 hydrobromide;67287-95-0;UNII-7NB1Z2NM8O;7NB1Z2NM8O;SKF 83959 (hydrobromide);CHEBI:63996;6-CHLORO-2,3,4,5-TETRAHYDRO-3-METHYL-1-(3-METHYLPHENYL)-1H-3-BENZAZEPINE-7,8-DIOL HYDROBROMIDE;6-chloro-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide;9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol;hydrobromide;1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-, hydrobromide;1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-, hydrobromide (1:1);CHEMBL520992;6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide;SR-01000076126;6-Chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)-1H-3-benzazepine-7,8-diol;SKF83959hydrobromide;skf83959 hydrobromide;EU-0101067;MLS002153381;SKF 83959 HBr;DTXSID9042629;SCHEMBL12610614;Tox21_501067;AKOS024456929;CCG-222371;LP01067;NCGC00094346-01;NCGC00261752-01;LS-27995;SMR001230770;HY-103412;CS-0027844;S 2816;SKF-83959 hydrobromide, >=98% (HPLC), solid;SR-01000076126-2;SR-01000076126-3;6-chloro-7,8-dihydroxy-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepinium bromide;N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide

Chemical Property of SKF 83959 hydrobromide

Chemical Property:

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 397.04442
• Heavy Atom Count: 23
• Complexity: 380

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C2CN(CCC3=C(C(=C(C=C23)O)O)Cl)C.Br

Technology Process of SKF 83959 hydrobromide

There total 5 articles about SKF 83959 hydrobromide 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:

6-Chloro-7,8-dimethoxy-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine (67287-93-8) → SKF 83959 hydrobromide (67287-95-0)

Guidance literature:

With boron tribromide; In dichloromethane; at 25 ℃; for 18h;

DOI:10.1021/jm00346a005

Reference yield:

3-methylstyrene oxide (704898-29-3,1195902-12-5,20697-03-4) → SKF 83959 hydrobromide (67287-95-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 18 h / 110 °C

2: H₂SO₄, CF₃COOH / 2 h / Heating

3: aq. HCOOH / 4.5 h / Heating

4: BBr₃ / CH₂Cl₂ / 18 h / 25 °C

With formic acid; sulfuric acid; boron tribromide; trifluoroacetic acid; In dichloromethane;

DOI:10.1021/jm00346a005

Reference yield:

6-Chloro-7,8-dimethoxy-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine (781561-80-6) → SKF 83959 hydrobromide (67287-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCOOH / 4.5 h / Heating

2: BBr₃ / CH₂Cl₂ / 18 h / 25 °C

With formic acid; boron tribromide; In dichloromethane;

DOI:10.1021/jm00346a005

upstream raw materials:

6-Chloro-7,8-dimethoxy-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

3-methylstyrene oxide

6-Chloro-7,8-dimethoxy-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

2-(2-chloro-3,4-dimethoxyphenyl)ethylamine

Refernces