1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic acid

Base Information

Chemical Name:1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic acid
CAS No.:912771-18-7
Molecular Formula:C15H18FNO3
Molecular Weight:279.31
Hs Code.:2924299090
DSSTox Substance ID:DTXSID00587563
Wikidata:Q82480021
Mol file:912771-18-7.mol

Synonyms:912771-18-7;1-(3-FLUORO-BENZOYLAMINO)-CYCLOHEPTANECARBOXYLIC ACID;1-(3-Fluorobenzamido)cycloheptane-1-carboxylic acid;1-[(3-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid;MFCD08277600;DTXSID00587563;AKOS005256643;MCULE-1648241812;1-(3-Fluorobenzamido)cycloheptanecarboxylic acid;1-(3-Fluorobenzoylamino)-cycloheptanecarboxylic acid;1-(3-FluorobenZamido)cycloheptane-1-carboxylic acid (BZ(3-F)-Ac7c-OH)

Suppliers and Price of 1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic 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
1-[(3-FLUOROBENZENE)AMIDO]CYCLOHEPTANE-1-CARBOXYLIC ACID 95.00%
1G
$ 585.90

Total 5 raw suppliers

Chemical Property of 1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic acid

Chemical Property:

Vapor Pressure:8.55E-10mmHg at 25°C
Boiling Point:474.1°C at 760 mmHg
Flash Point:240.5°C
PSA：66.40000
Density:1.25g/cm³
LogP:3.12400
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:279.12707160
Heavy Atom Count:20
Complexity:364

Purity/Quality:

97% ^*data from raw suppliers

1-[(3-FLUOROBENZENE)AMIDO]CYCLOHEPTANE-1-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCC(CC1)(C(=O)O)NC(=O)C2=CC(=CC=C2)F

Technology Process of 1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic acid

There total 2 articles about 1-(3-Fluoro-benzoylamino)-cycloheptanecarboxylic 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: 74.0%

: 7690-59-7
3-oxa-1-azaspiro[4.6]undecane-2,4-dione

: 17318-03-5
bromo(3-fluorophenyl)magnesium

: 912771-18-7
1-(3-fluorobenzamido)cycloheptanecarboxylic acid

Guidance literature:: In tetrahydrofuran; 2-methyltetrahydrofuran; at -78 - 20 ℃; for 1.33h; Inert atmosphere;
DOI:10.1021/ol500523n

Reference yield:

: 6949-77-5
1-aminocycloheptane-1-carboxylic acid

: 912771-18-7
1-(3-fluorobenzamido)cycloheptanecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran / 3 h / 50 °C / Inert atmosphere

2: tetrahydrofuran; 2-methyltetrahydrofuran / 1.33 h / -78 - 20 °C / Inert atmosphere

In tetrahydrofuran; 2-methyltetrahydrofuran;
DOI:10.1021/ol500523n