1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone

Base Information

Chemical Name:1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone
CAS No.:66116-80-1
Molecular Formula:C₆H₆N₂O₂S
Molecular Weight:170.192
Hs Code.:
DSSTox Substance ID:DTXSID20509025
Nikkaji Number:J2.186.972D
Wikidata:Q82366335

Synonyms:66116-80-1;1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone;5-Acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;5-acetyl-2-sulfanylidene-1H-pyrimidin-4-one;1-(4-hydroxy-2-sulfanylpyrimidin-5-yl)ethan-1-one;5-acetylthiouracil;SCHEMBL9959455;DTXSID20509025;DIJACDRUUFIGOD-UHFFFAOYSA-N;MFCD09864821;AKOS001921728;AKOS030240545;HB-0803;SB56813;5-acetyl-2-mercapto-4-hydroxypyrimidine;CS-0357843;1-(4-Hydroxy-2-mercaptopyrimidin-5-yl)ethan-1-one;5-Acetyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one

Suppliers and Price of 1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone

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 6 raw suppliers

Chemical Property of 1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone

Chemical Property:

XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:170.01499861
Heavy Atom Count:11
Complexity:270

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CNC(=S)NC1=O

Technology Process of 1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone

There total 1 articles about 1-(4-Hydroxy-2-sulfanyl-5-pyrimidinyl)-1-ethanone 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: 53.0%

: 17356-08-0
thiourea

: 3788-94-1
2-ethoxymethylene-3-oxobutanoic acid ethyl ester

: 81633-30-9
ethyl 4-methyl-2-thioxo-1H-pyrimidine-5-carboxylate

5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one: 66116-80-1
5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Guidance literature:: thiourea; 2-ethoxymethylene-3-oxobutanoic acid ethyl ester; In ethanol; for 8h; Reflux;

With acetic acid; In water;
DOI:10.1007/s10593-010-0634-7

Reference yield:

5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one: 66116-80-1
5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

: 66116-82-3
1-(4-chloro-2-(methylthio)pyrimidin-5-yl)ethan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / water / 24 h / 20 °C

2: trichlorophosphate / 2 h / 80 °C

With sodium hydroxide; trichlorophosphate; In water;
DOI:10.1007/s10593-013-1269-2

Reference yield:

5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one: 66116-80-1
5-acetyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

: 1383716-96-8
4-(4-(2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)pyrimidin-2-ylamino)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / 19.5 h / 40 °C

1.2: pH 6

2.1: 6 h / 120 °C

2.2: 56 h / 120 °C

2.3: 0.5 h

With sodium hydroxide;