Picartamide

Base Information

Chemical Name:Picartamide
CAS No.:76732-75-7
Molecular Formula:C11H14 N2 S2
Molecular Weight:238.378
Hs Code.:2934999090
European Community (EC) Number:278-531-4
UNII:7JZ930H2M6
DSSTox Substance ID:DTXSID30868413
Nikkaji Number:J23.272F
Wikidata:Q27268425
NCI Thesaurus Code:C66380
ChEMBL ID:CHEMBL100424
Mol file:76732-75-7.mol

Synonyms:2-methylaminocarbothioyl-2-(pyridyl)-2-tetrahydrothiophene;40749 RP;N-methyl-2-(2-pyridyl)-2,3,4,5-tetrahydro-2-thiophene carbothioamide;RP 40749;RP-40749

Suppliers and Price of Picartamide

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
PICARTAMIDE 95.00%
5MG
$ 499.40

Total 8 raw suppliers

Chemical Property of Picartamide

Chemical Property:

Vapor Pressure:2.69E-06mmHg at 25°C
Boiling Point:390.3°C at 760 mmHg
Flash Point:189.8°C
PSA：82.31000
Density:1.241g/cm³
LogP:2.74160
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:238.05984080
Heavy Atom Count:15
Complexity:245

Purity/Quality:

98%Min ^*data from raw suppliers

PICARTAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC(=S)C1(CCCS1)C2=CC=CC=N2

Technology Process of Picartamide

There total 7 articles about Picartamide 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: 79.0%

: 76743-15-2
2-Pyridin-2-yl-tetrahydro-thiophene-2-carbodithioic acid methyl ester

: 74-89-5
methylamine

: 76732-75-7
N-methyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide

Guidance literature:: In ethanol; for 0.5h; Ambient temperature;
DOI:10.1021/jm00384a004

Reference yield:

: 2044-73-7
2-(sulfanylmethyl)pyridine

: 76732-75-7
N-methyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide

Guidance literature:: Multi-step reaction with 3 steps

1: aq. NaOH

2: 70 percent / t-BuOK / tetrahydrofuran; hexamethylphosphoric acid triamide / 1 h / Ambient temperature

3: 1.) n-BuLi, diisopropylamine / 1.) hexane, THF, HMPA, -60 deg C, 2.) hexane, THF, HMPA, -60 deg C, 1 h

With sodium hydroxide; n-butyllithium; potassium tert-butylate; diisopropylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide;
DOI:10.1021/jm00384a004

Reference yield:

: 6959-47-3
2-chloromethylpyridine hydrochloride

: 76732-75-7
N-methyl-2-(2-pyridyl)tetrahydrothiophene-2-carbothioamide

Guidance literature:: Multi-step reaction with 5 steps

1: 97 percent / ethanol / 1.5 h / Heating

2: aq. NaOH / 0.33 h / 70 °C

3: aq. NaOH

4: 70 percent / t-BuOK / tetrahydrofuran; hexamethylphosphoric acid triamide / 1 h / Ambient temperature

5: 1.) n-BuLi, diisopropylamine / 1.) hexane, THF, HMPA, -60 deg C, 2.) hexane, THF, HMPA, -60 deg C, 1 h

With sodium hydroxide; n-butyllithium; potassium tert-butylate; diisopropylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol;
DOI:10.1021/jm00384a004