7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Base Information

Chemical Name:7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CAS No.:123018-23-5
Molecular Formula:C11H15NO2S
Molecular Weight:225.312
Hs Code.:
DSSTox Substance ID:DTXSID40471376
Wikidata:Q82299874
Mol file:123018-23-5.mol

Synonyms:123018-23-5;7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine;7-methanesulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine;7-Methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine;LSIWGVDWJZZPPD-UHFFFAOYSA-N;SCHEMBL4030704;DTXSID40471376;AKOS015852495;EN300-204118;7-Methylsulphonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Suppliers and Price of 7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

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

Absolute Chiral
7-(Methylsulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine 95%
1 g
$ 498.00

Total 2 raw suppliers

Chemical Property of 7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Chemical Property:

Boiling Point:426.9±45.0 °C(Predicted)
PKA:9.53±0.20(Predicted)
PSA：54.55000
Density:1.174±0.06 g/cm3(Predicted)
LogP:2.18790
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:225.08234989
Heavy Atom Count:15
Complexity:307

Purity/Quality:: 7-(Methylsulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC2=C(CCNCC2)C=C1

Technology Process of 7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

There total 6 articles about 7-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine 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: 32.0%

: 123462-52-2
3-acetyl-7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

: 123018-23-5
7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: In hydrogenchloride;

Reference yield:

: 613-73-0
1,2-phenylenediacetonitrile

: 123018-23-5
7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 5 steps

1.1: 60 percent / H₂; NH₃ / Raney Ni / ethanol / 24 h / 50 °C / 51714.8 Torr

2.1: triethylamine / CH₂Cl₂ / 18 h / 20 °C

3.1: chlorosulfonic acid / CH₂Cl₂ / 18 h / 20 °C

4.1: sodium sulfite; aq. sodium hydrogen carbonate / tetrahydrofuran / 2 h / 75 °C

4.2: tetrahydrofuran; H₂O / 24 h / 50 °C

5.1: aq. HCl / 18 h / Heating

With hydrogenchloride; chlorosulfonic acid; ammonia; hydrogen; sodium hydrogencarbonate; triethylamine; sodium sulfite; nickel; In tetrahydrofuran; ethanol; dichloromethane;
DOI:10.1021/jm030817d

Reference yield:

: 4424-20-8
2,3,4,5-tetrahydro-1H-3-benzazepine

: 123018-23-5
7-methylsulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / CH₂Cl₂ / 18 h / 20 °C

2.1: chlorosulfonic acid / CH₂Cl₂ / 18 h / 20 °C

3.1: sodium sulfite; aq. sodium hydrogen carbonate / tetrahydrofuran / 2 h / 75 °C

3.2: tetrahydrofuran; H₂O / 24 h / 50 °C

4.1: aq. HCl / 18 h / Heating

With hydrogenchloride; chlorosulfonic acid; sodium hydrogencarbonate; triethylamine; sodium sulfite; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm030817d