3-acetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonyl chloride

Base Information

Chemical Name:3-acetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonyl chloride
CAS No.:35760-18-0
Molecular Formula:C₁₂H₁₄ClNO₃S
Molecular Weight:287.767
Hs Code.:2933990090
European Community (EC) Number:872-366-7
DSSTox Substance ID:DTXSID90463125
Wikidata:Q82287913
Mol file:35760-18-0.mol

Synonyms:35760-18-0;3-acetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonyl chloride;3-acetyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride;3-acetyl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonyl chloride;3-acetyl-7-chlorosulfonyl-2,3,4,5 -tetrahydro-1H-3-benzazepine;SCHEMBL4040738;DTXSID90463125;HDYXOGXOWXWJHV-UHFFFAOYSA-N;CS-0262481;EN300-82817;3-Acetyl-7-chlorosulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine;3-Acetyl-7-chlorosulphonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

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

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

Labseeker
3-acetyl-2,3,4,5-tetrahydro-1H-benzo[D]azepine-7-sulfonylchloride 95
10g
$ 4550.00

American Custom Chemicals Corporation
3-ACETYL-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE-7-SULFONYL CHLORIDE 95.00%
1G
$ 1143.61

American Custom Chemicals Corporation
3-ACETYL-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE-7-SULFONYL CHLORIDE 95.00%
5G
$ 2392.33

American Custom Chemicals Corporation
3-ACETYL-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE-7-SULFONYL CHLORIDE 95.00%
2.5G
$ 1771.13

AK Scientific
3-Acetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonylchloride
2.5g
$ 1760.00

Total 4 raw suppliers

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

Chemical Property:

PSA：62.83000
LogP:2.57990
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:287.0382922
Heavy Atom Count:18
Complexity:418

Purity/Quality:

99% ^*data from raw suppliers

3-acetyl-2,3,4,5-tetrahydro-1H-benzo[D]azepine-7-sulfonylchloride 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)N1CCC2=C(CC1)C=C(C=C2)S(=O)(=O)Cl

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

There total 4 articles about 3-acetyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7-sulfonyl chloride 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: 45.0%

: 10533-22-9
1-(1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-ethanone

: 35760-18-0
3-acetyl-7-chlorosulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: With chlorosulfonic acid; In dichloromethane; water;

Reference yield:

: 613-73-0
1,2-phenylenediacetonitrile

: 35760-18-0
3-acetyl-7-chlorosulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 3 steps

1: 60 percent / H₂; NH₃ / Raney Ni / ethanol / 24 h / 50 °C / 51714.8 Torr

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

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

With chlorosulfonic acid; ammonia; hydrogen; triethylamine; nickel; In ethanol; dichloromethane;
DOI:10.1021/jm030817d

Reference yield:

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

: 35760-18-0
3-acetyl-7-chlorosulfonyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 2 steps

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

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

With chlorosulfonic acid; triethylamine; In dichloromethane;
DOI:10.1021/jm030817d