2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-

Base Information

• Chemical Name: 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-
• CAS No.: 37489-49-9
• Molecular Formula: C13H15ClN2S
• Molecular Weight: 266.7896
• NSC Number: 49828
• UNII: PVM4868PRC
• DSSTox Substance ID: DTXSID50190940
• Nikkaji Number: J51.394F
• ChEMBL ID: CHEMBL1883022
• Mol file: 37489-49-9.mol

Synonyms:37489-49-9;USAF K-1348;2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-;2(1H)-Pyrimidinethione, 1-(3-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-;3-(3-chlorophenyl)-4,6,6-trimethyl-1H-pyrimidine-2-thione;PVM4868PRC;MLS002667315;1-(3-Chlorophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine;NSC-49828;1-(3-Chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione;1-(3-chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione;NSC 49828;NSC49828;UNII-PVM4868PRC;CHEMBL1883022;DTXSID50190940;HMS3079E10;STK674088;AKOS001585687;AKOS016024952;SMR001557083;EU-0063381;AG-205/37082096;SR-01000417768;SR-01000417768-1;1-(3-Chlorophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione;1-(3-Chlorophenyl)-4,4,6-trimethyl-3,4-dihydro-2(1H)-pyrimidinethione #;1-(3-CHLOROPHENYL)-4,4,6-TRIMETHYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2-THIONE;Pyrimidine-2(1H)-thione, 3,4-dihydro-1-(3-chlorophenyl)-4,4,6-trimethyl-

Chemical Property of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-

Chemical Property:

• Vapor Pressure: 2.95E-05mmHg at 25°C
• Boiling Point: 356.3°Cat760mmHg
• Flash Point: 169.3°C
• PSA: 54.40000
• Density: 1.26g/cm³
• LogP: 3.62880
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 266.0644474
• Heavy Atom Count: 17
• Complexity: 351

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(NC(=S)N1C2=CC(=CC=C2)Cl)(C)C

Technology Process of 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl-

There total 6 articles about 2(1H)-Pyrimidinethione, 1-(m-chlorophenyl)-3,4-dihydro-4,4,6-trimethyl- 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: 90.0%

C19H16ClN2O3PS + acetone (67-64-1) → 1-(3-chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione (37489-49-9)

Guidance literature:

at 20 ℃; for 2h;

DOI:10.1039/c5nj02588e

Reference yield: 84.0%

4-methyl-pent-3-en-2-one (141-79-7) + potassium thioacyanate (333-20-0) + 3-chloro-aniline (108-42-9) → 1-(3-chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione (37489-49-9)

Guidance literature:

With hydrogenchloride; In water; at 50 - 60 ℃;

DOI:10.1002/jccs.201600805

Reference yield: 84.0%

3-chloro-aniline (108-42-9) + acetone (67-64-1) + phosphor(isothiocyanatidic) acid diphenyl ester (5401-14-9) → 1-(3-chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione (37489-49-9)

Guidance literature:

at 20 ℃; for 2h;

DOI:10.1039/c5nj02588e

upstream raw materials:

4-methyl-pent-3-en-2-one

ammonium thiocyanate

3-chloro-aniline

acetone

Downstream raw materials:

(3-chloro-phenyl)-(4,4,6-trimethyl-4H-[1,3]thiazin-2-yl)-amine