3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

Base Information Edit

Chemical Name:3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
CAS No.:353292-92-9
Molecular Formula:C₁₂H₇ClF₄N₂O₂S
Molecular Weight:354.712
Hs Code.:
European Community (EC) Number:816-101-5
Mol file:353292-92-9.mol

Synonyms:353292-92-9;3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;3-(4-chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-trifluoromethyl-1H-pyrimidin-2,4-dione;3-(4-chloro-2-fluoro-5-sulfanylphenyl)-1-methyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione;C12H7ClF4N2O2S;SCHEMBL2149670;3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)uracil;SY040545;DB-150712;CS-0069534;E88195;EN300-364571;2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzenethiol;2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenyl mercaptan;3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)-2,4(1h,3h)-pyrimidinedione

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

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Chemical Property of 3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione Edit

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:353.9852890
Heavy Atom Count:22
Complexity:528

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C(=CC(=O)N(C1=O)C2=CC(=C(C=C2F)Cl)S)C(F)(F)F

Technology Process of 3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

There total 6 articles about 3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 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: 95.0%

: 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzenesulfonyl chloride

: 353292-92-9
2-chloro-4-fluoro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)thiophenol

Guidance literature:: 2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzenesulfonyl chloride; With phosphorus; iodine; acetic acid; for 2h; Reflux;

With hydrogenchloride; In water; at 100 - 110 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;

Reference yield: 58.0%

: 114136-66-2
1-methyl-6-trifluoromethyl-3-(4-chloro-2-fluorophenyl)-2,4(1H,3H)-pyrimidinedione

: 353292-92-9
2-chloro-4-fluoro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)thiophenol

Guidance literature:: 1-methyl-6-trifluoromethyl-3-(4-chloro-2-fluorophenyl)-2,4(1H,3H)-pyrimidinedione; With chlorosulfonic acid; at 130 - 135 ℃;

With hydrogenchloride; tin(II) dichloride dihydrate; acetic acid; at 80 ℃; for 5h;
DOI:10.1002/bkcs.12205

Reference yield:

: 114136-63-9
3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

: 353292-92-9
2-chloro-4-fluoro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)thiophenol

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 1 h / 20 °C

2: chlorosulfonic acid / 20 h / 110 °C

3: tin(II) chloride dihdyrate; hydrogenchloride; acetic acid / water / 10 h / 100 °C

With hydrogenchloride; chlorosulfonic acid; tin(II) chloride dihdyrate; potassium carbonate; acetic acid; In water; N,N-dimethyl-formamide;

upstream raw materials:

2-fluoro-4-chlorophenyl isocyanate

3-(4-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

1-methyl-6-trifluoromethyl-3-(4-chloro-2-fluorophenyl)-2,4(1H,3H)-pyrimidinedione

2-fluoro-4-chloroaniline

Downstream raw materials:

3-[{2-[2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)-4-fluorophenylthio]-1-oxopropyl}amino]propionic acid methyl ester

methyl 2-([2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenylthio}pyrimidin-4-yl]oxy}propionate

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Encyclopedia

Technology Process of 3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

3-(4-Chloro-2-fluoro-5-mercaptophenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

NAVIGATION