2-(allylsulfanyl)-4(3H)-pyrimidinone

Base Information

Chemical Name:2-(allylsulfanyl)-4(3H)-pyrimidinone
CAS No.:31170-22-6
Molecular Formula:C₇H₈N₂OS
Molecular Weight:168.219
Hs Code.:
NSC Number:165462
DSSTox Substance ID:DTXSID20304335
Wikidata:Q82050189
ChEMBL ID:CHEMBL1718671
Mol file:31170-22-6.mol

Synonyms:2-(allylsulfanyl)-4(3H)-pyrimidinone;31170-22-6;2-prop-2-enylsulfanyl-1H-pyrimidin-6-one;NSC165462;MLS000705060;SCHEMBL1110848;SCHEMBL8194267;CHEMBL1718671;2-allylthiopyrimidin-4(3h)-one;DTXSID20304335;HMS2530B20;AKOS024343297;2-ALLYLSULFANYL-PYRIMIDIN-4-OL;NSC-165462;SMR000230982;AI-204/31716046

Suppliers and Price of 2-(allylsulfanyl)-4(3H)-pyrimidinone

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 2 raw suppliers

Chemical Property of 2-(allylsulfanyl)-4(3H)-pyrimidinone

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.22g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:168.03573406
Heavy Atom Count:11
Complexity:233

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CCSC1=NC=CC(=O)N1

Technology Process of 2-(allylsulfanyl)-4(3H)-pyrimidinone

There total 4 articles about 2-(allylsulfanyl)-4(3H)-pyrimidinone 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: 73.0%

: 106-95-6
allyl bromide

: 141-90-2,80275-68-9
4-hydroxy-2-mercaptopyrimidine

: 31170-22-6
2-allylthio-4(3H)-pyrimidone

Guidance literature:: With sodium ethanolate; In ethanol; for 1h; Heating;
DOI:10.1007/BF01169677

Reference yield: 29.0%

: 106-95-6
allyl bromide

: 141-90-2,125220-28-2
2-mercaptopyrimidin-4(3H)-one

: 31170-22-6
2-Allylsulfanyl-1H-pyrimidin-4-one

Guidance literature:: With sodium methylate; In methanol; Ambient temperature;
DOI:10.1021/jo00206a007

Reference yield: 28.0%

: 141-90-2,156-82-1
2-thiouracil

: 591-87-7
Allyl acetate

: 89693-81-2
1-allyl-2-thioxo-2,3-dihydro-pyrimidin-4(1H)-one

: 31170-22-6
2-allylthio-4(3H)-pyrimidone

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 1,4-di(diphenylphosphino)-butane; In tetrahydrofuran; water; at 60 ℃; for 24h;
DOI:10.1016/0040-4020(96)00486-3