6-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Base Information

Chemical Name:6-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CAS No.:53939-84-7
Molecular Formula:C₈H₁₂N₂OS
Molecular Weight:184.262
Hs Code.:2933599090
DSSTox Substance ID:DTXSID30873582
Wikidata:Q81981117
Mol file:53939-84-7.mol

Synonyms:6-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;6-butyl-2-sulfanylidene-1H-pyrimidin-4-one;6-n-butyl thiouracil;6-Butyl-2-thiouracil;SCHEMBL8407853;DTXSID30873582;IDHIMFNQCHMJTF-UHFFFAOYSA-N;6-butyl-2-mercaptopyrimidin-4-ol;6-butyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one;MFCD11044552;AKOS006341679;AKOS026713462;NS-01655;F1967-0826;6-Butyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone, AldrichCPR

Suppliers and Price of 6-butyl-2-thioxo-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

American Custom Chemicals Corporation
2-MERCAPTO-6-PROPYLPYRIMIDIN-4-OL 97.00%
25G
$ 130.20

American Custom Chemicals Corporation
2-MERCAPTO-6-PROPYLPYRIMIDIN-4-OL 97.00%
250G
$ 4943.40

AHH
2-Mercapto-6-propylpyrimidin-4-ol 97%
250g
$ 450.00

Total 5 raw suppliers

Chemical Property of 6-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Chemical Property:

Melting Point:218-221 °C
PSA：84.81000
LogP:1.42340
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:184.06703418
Heavy Atom Count:12
Complexity:235

Purity/Quality:

99% ^*data from raw suppliers

2-MERCAPTO-6-PROPYLPYRIMIDIN-4-OL 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 40-22
Safety Statements: 45-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=CC(=O)NC(=S)N1

Technology Process of 6-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

There total 3 articles about 6-butyl-2-thioxo-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: 74.0%

: 7737-62-4
Ethyl 3-oxoheptanoate

: 17356-08-0
thiourea

: 53939-84-7
6-n-butyl-2-thio-4-hydroxypyrimidine

Guidance literature:: With sodium ethanolate; In ethanol; for 5h; Heating;

Reference yield: 65.0%

: 7737-62-4
Ethyl 3-oxoheptanoate

: 17356-08-0
thiourea

: 53939-84-7
6-butyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Guidance literature:: With potassium carbonate; at 105 ℃; for 1h;
DOI:10.1021/jm030404c

Reference yield:

: 591-78-6
n-hexan-2-one

: 53939-84-7
6-n-butyl-2-thio-4-hydroxypyrimidine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) LiNH₂ / 1.) ether, RT, 30 min, 2.) ether, reflux, 2 h

2: 74 percent / EtONa / ethanol / 5 h / Heating

With lithium amide; sodium ethanolate; In ethanol;