1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Base Information

Chemical Name:1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
CAS No.:21320-99-0
Molecular Formula:C10H8 N2 O S
Molecular Weight:204.2483
Hs Code.:
NSC Number:162684
DSSTox Substance ID:DTXSID00391728
Mol file:21320-99-0.mol

Synonyms:21320-99-0;NSC162684;SCHEMBL11582074;DTXSID00391728;AKOS011692599;NSC-162684;1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Suppliers and Price of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

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

Total 5 raw suppliers

Chemical Property of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.38g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:204.03573406
Heavy Atom Count:14
Complexity:282

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)N2C=CC(=O)NC2=S

Technology Process of 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

There total 6 articles about 1-Phenyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one 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: 76.0%

: 872492-84-7
4-methylsulfanyl-1-phenylpyrimidine-2(1H)-thione

: 21320-99-0
1-phenyl-2-thioxopyrimidin-4(1H,3H)-one

Guidance literature:: With potassium hydroxide; In ethanol; for 4h; Heating;
DOI:10.1002/ejoc.200500556

Reference yield:

: 103-72-0
phenyl isothiocyanate

: 21320-99-0
1-phenyl-2-thioxopyrimidin-4(1H,3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / Et₃N / CH₂Cl₂ / 6 h / 20 °C

2: 76 percent / KOH / ethanol / 4 h / 100 °C

With potassium hydroxide; triethylamine; In ethanol; dichloromethane;
DOI:10.1055/s-2005-917114

Reference yield:

: 122-51-0
orthoformic acid triethyl ester

: 103-85-5
monophenylthiourea

Polymer: 4-phenylbutan-2-one cyclic malonic acid ester, bound to Merrifield resin: Polymer: 4-phenylbutan-2-one cyclic malonic acid ester, bound to Merrifield resin

: 21320-99-0
1-phenyl-2-thioxopyrimidin-4(1H,3H)-one

: 53632-80-7
3-phenyl-2,3-dihydro-2-thioxo-pyrimidin-4(1H)-one

Guidance literature:: orthoformic acid triethyl ester; Polymer: 4-phenylbutan-2-one cyclic malonic acid ester, bound to Merrifield resin; for 6h; Heating;

monophenylthiourea; for 12h; Heating;

at 220 - 240 ℃; for 0.333333h; Further stages. Title compound not separated from byproducts.;
DOI:10.1021/jo020175m