Benalfocin

Base Information

Chemical Name:Benalfocin
CAS No.:73943-10-9
Molecular Formula:C11H14 Cl N
Molecular Weight:195.69
Hs Code.:
UNII:YCN2U5UGIQ
DSSTox Substance ID:DTXSID70224650
Nikkaji Number:J23.755H
Wikidata:Q27108203
Pharos Ligand ID:DKPPZ7S6BP38
Metabolomics Workbench ID:68150
ChEMBL ID:CHEMBL123349
Mol file:73943-10-9.mol

Synonyms:6-chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine;benalfocin;benalfocin hydrochloride;SK and F 86466;SK and F-86466;SKF 86466

Suppliers and Price of Benalfocin

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

American Custom Chemicals Corporation
SKF-86466 95.00%
5MG
$ 498.01

Total 4 raw suppliers

Chemical Property of Benalfocin

Chemical Property:

Vapor Pressure:0.00239mmHg at 25°C
Boiling Point:288.1°C at 760 mmHg
PKA:7.63±0.10(Predicted)
Flash Point:128°C
PSA：3.24000
Density:1.105g/cm³
LogP:2.30830
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:195.0814771
Heavy Atom Count:13
Complexity:172

Purity/Quality:

99% ^*data from raw suppliers

SKF-86466 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CN1CCC2=C(CC1)C(=CC=C2)Cl

Technology Process of Benalfocin

There total 2 articles about Benalfocin 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%

: 7732-18-5
water

: 86129-53-5
N-methyl-N-[2-(2'-chlorophenyl)ethyl]-2-chloroethylamine hydrochloride

: 86129-52-4
2-[[2-(2-chlorophenyl)ethyl](methyl)amino]ethanol

: 120-82-1,63697-18-7
1,2,4-Trichlorobenzene

: 73943-10-9
SKF 86466

Guidance literature:: With hydrogenchloride; sodium hydroxide; aluminium trichloride; In toluene;

Reference yield:

: N-methyl-N-[2-(2'-chlorophenyl)ethyl]-2-chloroethylamine

: 73943-10-9
SKF 86466

Guidance literature:: aluminium trichloride; In various solvent(s); at 200 ℃; for 5h;
DOI:10.1016/j.bmc.2007.12.009

Reference yield:

: 73943-10-9
SKF 86466

: 86120-57-2
9-allyloxy-6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 4 steps

1: 44 percent / conc. nitric acid, conc. H₂SO₄ / Ambient temperature

2: 95 percent / hydrazine hydrate / Raney nickel / ethanol

3: 1.) sodium nitrite, aq. H₂SO₄, 2.) ammonium hydroxide / 1.) 1 h, 2.) water

4: 1.) NaH / 1.) DMF, 2.) DMF, RT, 20 h

With ammonium hydroxide; sulfuric acid; nitric acid; sodium hydride; hydrazine hydrate; sodium nitrite; nickel; In ethanol;
DOI:10.1021/jm00373a018