1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic acid

Base Information

Chemical Name:1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic acid
CAS No.:652171-96-5
Molecular Formula:C16H17NO3S
Molecular Weight:303.382
Hs Code.:
DSSTox Substance ID:DTXSID50655766
Wikidata:Q82570028

Synonyms:1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic acid;652171-96-5;SCHEMBL1837268;DTXSID50655766;CMXFACCTWJJJQG-UHFFFAOYSA-N;AKOS009107576;1-[(1-Benzothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid

Suppliers and Price of 1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic 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
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price

Total 1 raw suppliers

Chemical Property of 1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic acid

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:303.09291458
Heavy Atom Count:21
Complexity:420

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)(C(=O)O)NC(=O)C2=CC3=CC=CC=C3S2

Technology Process of 1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic acid

There total 7 articles about 1-[(2-Benzothienylcarbonyl)amino]cyclohexanecarboxylic 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: 80.0%

: 944282-05-7
1-[(2-benzothienylcarbonyl)amino]cyclohexanecarboxylic acid phenylmethyl ester

: 652171-96-5
1-(benzo[b]thiophene-2-carboxamido)cyclohexanecarboxylic acid

Guidance literature:: 1-[(2-benzothienylcarbonyl)amino]cyclohexanecarboxylic acid phenylmethyl ester; With sodium hydroxide; water; In tetrahydrofuran; for 72h; Heating / reflux;

With hydrogenchloride; In water;

Reference yield: 71.0%

: 3253-43-8
Spiro<4.5>decan-2,4'-oxazolidine-2,5'-dione

: 95-15-8,11095-43-5
Benzo[b]thiophene

: 652171-96-5
1-(benzo[b]thiophene-2-carboxamido)cyclohexanecarboxylic acid

Guidance literature:: Benzo[b]thiophene; With n-butyllithium; In tetrahydrofuran; cyclohexane; at -78 ℃; for 1h; Inert atmosphere;

Spiro<4.5>decan-2,4'-oxazolidine-2,5'-dione; In tetrahydrofuran; cyclohexane; at -78 - 20 ℃; Inert atmosphere;
DOI:10.1021/ol500523n

Reference yield:

: 2756-85-6
1-aminocyclohexane carboxylic acid

: 652171-96-5
1-(benzo[b]thiophene-2-carboxamido)cyclohexanecarboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

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

2.1: n-butyllithium / tetrahydrofuran; cyclohexane / 1 h / -78 °C / Inert atmosphere

2.2: -78 - 20 °C / Inert atmosphere

With n-butyllithium; In tetrahydrofuran; cyclohexane;
DOI:10.1021/ol500523n