3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid

Base Information

Chemical Name:3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid
CAS No.:299181-35-4
Molecular Formula:C14H19NO5S
Molecular Weight:313.375
Hs Code.:
European Community (EC) Number:870-664-1
DSSTox Substance ID:DTXSID101186381
ChEMBL ID:CHEMBL1213101
Mol file:299181-35-4.mol

Synonyms:3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid;299181-35-4;3-(Azepane-1-sulfonyl)-4-methoxy-benzoic acid;3-(azepane-1-sulfonyl)-4-methoxybenzoic acid;3-[(Hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxybenzoic acid;Oprea1_729568;SCHEMBL7661191;CHEMBL1213101;DTXSID101186381;MFCD00814139;STK802630;AKOS000121839;CCG-311133;CS-0218339;3-(1-azepanylsulfonyl)-4-methoxybenzoic acid;3-(azepan-1-ylsulfonyl)-4-methoxybenzoicacid;EN300-00637;AK-918/11143015;SR-01000455357;J-510795;SR-01000455357-1

Suppliers and Price of 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic 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

AK Scientific
3-(Azepan-1-ylsulfonyl)-4-methoxybenzoicacid
250mg
$ 203.00

Total 5 raw suppliers

Chemical Property of 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid

Chemical Property:

PSA：92.29000
LogP:2.97680
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:313.09839388
Heavy Atom Count:21
Complexity:451

Purity/Quality:

97% ^*data from raw suppliers

3-(Azepan-1-ylsulfonyl)-4-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCCCCC2

Technology Process of 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic acid

There total 3 articles about 3-(Azepan-1-ylsulfonyl)-4-methoxybenzoic 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: 52.0%

: 111-49-9
hexamethylene imine

: 50803-29-7
3-chlorosulfonyl-4-methoxybenzoic acid

: 299181-35-4
3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid

Guidance literature:: With pyridine; In ethyl acetate; at 0 - 20 ℃;
DOI:10.1016/j.ejmech.2014.02.003

Reference yield: 52.0%

: 299181-35-4
3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid

Guidance literature:: With pyridine; at 0 - 20 ℃;

Reference yield:

: 100-09-4
4-methoxybenzoic acid

: 299181-35-4
3-(azepan-1-ylsulfonyl)-4-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 4 h / 65 °C

2: pyridine / ethyl acetate / 0 - 20 °C

With pyridine; In ethyl acetate;
DOI:10.1016/j.ejmech.2014.02.003