Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-

Base Information

Chemical Name:Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-
CAS No.:211513-21-2
Molecular Formula:C19H29NOS
Molecular Weight:319.511
Hs Code.:2930909090
UNII:PEW5P6H57S
DSSTox Substance ID:DTXSID10426090
Nikkaji Number:J1.400.693A
Wikidata:Q82239060
ChEMBL ID:CHEMBL117102
Mol file:211513-21-2.mol

Synonyms:211513-21-2;Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-;1-(2-ETHYLBUTYL)-N-(2-MERCAPTOPHENYL)CYCLOHEXANECARBOXAMIDE;1-(2-ethylbutyl)-N-(2-sulfanylphenyl)cyclohexane-1-carboxamide;CHEMBL117102;n-(2-mercaptophenyl)-1-(2-ethylbutyl)cyclohexanecarboxamide;JTP-25203;PEW5P6H57S;SCHEMBL527973;DTXSID10426090;OVRLABAFXJPIMU-UHFFFAOYSA-N;1-(2-ethylbutyl)-N-(2-mercaptophenyl)-cyclohexanecarboxamide;BDBM50369597

Suppliers and Price of Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-

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

Crysdot
1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide 95+%
1g
$ 413.00

Total 3 raw suppliers

Chemical Property of Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-

Chemical Property:

Vapor Pressure:3.8E-09mmHg at 25°C
Melting Point:68.5-74 °C
Boiling Point:473.8oC at 760 mmHg
PKA:6.49±0.43(Predicted)
Flash Point:240.4oC
PSA：71.39000
Density:1.064g/cm3
LogP:6.34010
XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:319.19698572
Heavy Atom Count:22
Complexity:347

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2S

Technology Process of Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-

There total 6 articles about Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)- 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:

: 211513-15-4
bis-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]phenyl]disulfide

: 211513-21-2
Dalcetrapib

Guidance literature:: With water; triphenylphosphine; In 1,4-dioxane; at 50 ℃; for 1h;
DOI:10.1021/jm000224s

Reference yield:

: bis-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]phenyl disulfide

: 211513-15-4
bis-[2-[1-(2-ethylbutyl)cyclohexanecarbonylamino]phenyl]disulfide

: 211513-21-2
Dalcetrapib

Guidance literature:: With sodium hydroxide; triphenylphosphine; In 1,4-dioxane; water;

Reference yield:

: 381209-09-2
1-(2-ethyl-butyl)-cyclohexanecarboxylic acid

: 211513-21-2
Dalcetrapib

Guidance literature:: Multi-step reaction with 3 steps

1: 38 percent / oxalyl chloride / CH₂Cl₂ / 1 h / 20 °C

2: pyridine / 100 °C

3: Ph₃P; H₂O / dioxane / 1 h / 50 °C

With pyridine; oxalyl dichloride; water; triphenylphosphine; In 1,4-dioxane; dichloromethane; 1: Chlorination / 2: Acylation / 3: Reduction;
DOI:10.1021/jm000224s