2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

Base Information

Chemical Name:2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid
CAS No.:133804-52-1
Molecular Formula:C₁₄H₂₂N₂O₃S
Molecular Weight:298.406
Hs Code.:2933990090
DSSTox Substance ID:DTXSID30431909
Mol file:133804-52-1.mol

Synonyms:133804-52-1;2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid;2-(1,4-Diazepan-1-yl)-5-propylbenzenesulfonic acid;2-(1,4-Diazepan-1-yl)-5-propylbenzene-1-sulfonic acid;SCHEMBL2856103;DTXSID30431909;NGNBMODIBJBTLS-UHFFFAOYSA-N;2-(1-homopiperazinyl)-5-n-propylbenzenesulfonic acid

Suppliers and Price of 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

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
2-[1,4]DIAZEPAN-1-YL-5-PROPYL-BENZENESULFONIC ACID 95.00%
5MG
$ 500.60

Total 2 raw suppliers

Chemical Property of 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

Chemical Property:

Refractive Index:1.556
PSA：78.02000
Density:1.205g/cm³
LogP:3.16010
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:298.13511374
Heavy Atom Count:20
Complexity:394

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

2-[1,4]DIAZEPAN-1-YL-5-PROPYL-BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=CC(=C(C=C1)N2CCCNCC2)S(=O)(=O)O

Technology Process of 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid

There total 2 articles about 2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid 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: 37.2%