2-(Azepane-1-carbonyl)benzoic acid

Base Information

Chemical Name:2-(Azepane-1-carbonyl)benzoic acid
CAS No.:20320-45-0
Molecular Formula:C14H17NO3
Molecular Weight:247.294
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90580043
Wikidata:Q82470772
Mol file:20320-45-0.mol

Synonyms:2-(1-azepanylcarbonyl)benzoic acid;2-(azepane-1-carbonyl)benzoic acid;20320-45-0;DTXSID90580043;2-(azepane-1-carbonyl)benzoicacid;AKOS000182408;AG-690/37221002

Suppliers and Price of 2-(Azepane-1-carbonyl)benzoic 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

Matrix Scientific
2-(1-Azepanylcarbonyl)benzoic acid
1g
$ 306.00

Matrix Scientific
2-(1-Azepanylcarbonyl)benzoic acid
500mg
$ 199.00

Crysdot
2-(Azepane-1-carbonyl)benzoicacid 97%
5g
$ 627.00

Chemenu
2-(Azepane-1-carbonyl)benzoicacid 97%
5g
$ 592.00

Aronis compounds
2-(1-azepanylcarbonyl)benzoicacid
10g
$ 503.00

American Custom Chemicals Corporation
2-(1-AZEPANYLCARBONYL)BENZOIC ACID 95.00%
500MG
$ 795.80

AK Scientific
2-(1-Azepanylcarbonyl)benzoicacid
500mg
$ 318.00

Total 1 raw suppliers

Chemical Property of 2-(Azepane-1-carbonyl)benzoic acid

Chemical Property:

Boiling Point:450.3±28.0 °C(Predicted)
PKA:3.69±0.36(Predicted)
PSA：57.61000
Density:1?+-.0.06 g/cm3(Predicted)
LogP:2.33890
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:247.12084340
Heavy Atom Count:18
Complexity:308

Purity/Quality:: 2-(1-Azepanylcarbonyl)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCN(CC1)C(=O)C2=CC=CC=C2C(=O)O

Technology Process of 2-(Azepane-1-carbonyl)benzoic acid

There total 2 articles about 2-(Azepane-1-carbonyl)benzoic 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: 100.0%

: 111-49-9
hexamethylene imine

: 85-44-9
phthalic anhydride

: 20320-45-0
2-(azepan-1-ylcarbonyl)benzoic acid

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 15.5h;
DOI:10.1016/j.bmc.2008.08.006

Reference yield:

: 20320-45-0
2-(azepan-1-ylcarbonyl)benzoic acid

Guidance literature:: Phthalsaeure-anhydrid, Hexahydroazepin (Acn., 2 h, Raumtemp.);
DOI:10.1021/jm01240a015

Reference yield: 48.0%

: 20320-45-0
2-(azepan-1-ylcarbonyl)benzoic acid

: (3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine dihydrochloride

: 403477-85-0
2-(azepan-1-ylcarbonyl)-N-{(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}benzamide

Guidance literature:: With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In dichloromethane; at 20 ℃;
DOI:10.1016/j.bmc.2008.08.006