1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone

Base Information

Chemical Name:1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone
CAS No.:890524-71-7
Molecular Formula:C₁₃H₁₄N₂OS
Molecular Weight:246.333
Hs Code.:
DSSTox Substance ID:DTXSID601153846

Synonyms:DTXSID601153846;1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone;890524-71-7

Suppliers and Price of 1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:246.08268425
Heavy Atom Count:17
Complexity:343

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)CN2C(=S)C=CNC2=O)C

Technology Process of 1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-pyrimidinone

There total 3 articles about 1-[(3,5-Dimethylphenyl)methyl]-3,6-dihydro-6-thioxo-2(1H)-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: 85.0%

: 890525-20-9
3-(3,5-dimethylbenzyl)uracil

: 890524-71-7
3-(3,5-dimethylbenzyl)-4-thiouracil

: 890525-21-0
3-(3,5-dimethylbenzyl)-2,4-dithiouracil

Guidance literature:: With Lawessons reagent; In toluene; for 24h; Heating;
DOI:10.1248/cpb.54.325

Reference yield:

: 890524-70-6
3-(3,5-dimethyl-benzyl)-1-(tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione

: 890524-71-7
3-(3,5-dimethylbenzyl)-4-thiouracil

Guidance literature:: Multi-step reaction with 2 steps

1: 69 percent / aq. HCl / dioxane / 15 h / Heating

2: 85 percent / Lawesson's reagent / toluene / 24 h / Heating

With Lawessons reagent; hydrogenchloride; In 1,4-dioxane; toluene;
DOI:10.1248/cpb.54.325

Reference yield:

: 27129-87-9
3,5-dimethylbenzyl alcohol

: 890524-71-7
3-(3,5-dimethylbenzyl)-4-thiouracil

Guidance literature:: Multi-step reaction with 3 steps

1: 68 percent / diisopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 2 h / 50 °C

2: 69 percent / aq. HCl / dioxane / 15 h / Heating

3: 85 percent / Lawesson's reagent / toluene / 24 h / Heating

With Lawessons reagent; hydrogenchloride; di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; 1,4-dioxane; toluene; 1: Mitsunobu reaction;
DOI:10.1248/cpb.54.325