Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Base Information

Chemical Name:Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS No.:315712-44-8
Molecular Formula:C₁₇H₂₃NO₃S
Molecular Weight:321.441
Hs Code.:
DSSTox Substance ID:DTXSID201126164
ChEMBL ID:CHEMBL2349641
Mol file:315712-44-8.mol

Synonyms:methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;Oprea1_080906;Oprea1_135589;CHEMBL2349641;DTXSID201126164;STK095021;AKOS000491330;CCG-287715;methyl 2-(cyclohexanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;315712-44-8;EU-0075103;UNM000003540901;AN-329/12119824;SR-01000463312;SR-01000463312-1;Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Suppliers and Price of Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Aronis compounds
methyl2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
20mg
$ 30.00

Total 0 raw suppliers

Chemical Property of Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Chemical Property:

XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:321.13986477
Heavy Atom Count:22
Complexity:422

Purity/Quality:: methyl2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCCCC3

Technology Process of Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

There total 2 articles about Methyl 2-[(cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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: 94.0%

: 108354-78-5
methyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

: 98-89-5
Cyclohexanecarboxylic acid

: 315712-44-8
methyl 2-[ (cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Guidance literature:: With dmap; diisopropyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/jm400144w

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 315712-44-8
methyl 2-[ (cyclohexylcarbonyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: morpholine; sulfur / ethanol / Reflux

2: diisopropyl-carbodiimide; dmap / dichloromethane / 0 - 20 °C / Inert atmosphere

With morpholine; sulfur; dmap; diisopropyl-carbodiimide; In ethanol; dichloromethane; 1: |Gewald Aminoheterocycles Synthesis;
DOI:10.1021/jm400144w