4,6-Dimethyl-2-mercaptopyrimidine

Base Information

• Chemical Name: 4,6-Dimethyl-2-mercaptopyrimidine
• CAS No.: 22325-27-5
• Deprecated CAS: 13139-97-4
• Molecular Formula: C6H8N2S
• Molecular Weight: 140.209
• Hs Code.: 29335995
• European Community (EC) Number: 244-911-3
• NSC Number: 15491
• UNII: YGT3ZQ6LZP
• DSSTox Substance ID: DTXSID70176867
• Nikkaji Number: J27.926I
• ChEMBL ID: CHEMBL1650609
• Mol file: 22325-27-5.mol

Synonyms:4,6-dimethylpyrimidine-2-thiol;4,6Me2Pm2SH

Chemical Property of 4,6-Dimethyl-2-mercaptopyrimidine

Chemical Property:

• Appearance/Colour: Yellow fine crystalline powder
• Vapor Pressure: 0.169mmHg at 25°C
• Melting Point: 213-216 °C (dec.)(lit.)
• Refractive Index: 1.614
• Boiling Point: 212.9 °C at 760 mmHg
• PKA: 8.46±0.10(Predicted)
• Flash Point: 82.5 °C
• PSA: 64.58000
• Density: 1.2 g/cm³
• LogP: 1.38210
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.04081944
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

98% ^*data from raw suppliers

4,6-Dimethyl-2(1H)-pyrimidinethione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=NC(=S)N1)C

Technology Process of 4,6-Dimethyl-2-mercaptopyrimidine

There total 107 articles about 4,6-Dimethyl-2-mercaptopyrimidine 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: 83.0%

N-acetyl-4,6-dimethylpyrimidine-2-thione + 1-amino-3-methylbenzene (108-44-1) → 3-Methylacetanilide (537-92-8) + 4,6-dimethyl-pyrimidine-2-thione (22325-27-5)

Guidance literature:

In chloroform; for 0.15h;

DOI:10.14233/ajchem.2015.17607

Reference yield: 78.0%

N-acetyl-4,6-dimethylpyrimidine-2-thione + benzylamine (100-46-9) → N-(phenylmethyl)acetamide (588-46-5) + 4,6-dimethyl-pyrimidine-2-thione (22325-27-5)

Guidance literature:

In chloroform; for 0.166667h;

DOI:10.14233/ajchem.2015.17607

Reference yield: 77.0%

N-acetyl-4,6-dimethylpyrimidine-2-thione + ethylamine (75-04-7,85404-22-4) → 4,6-dimethyl-pyrimidine-2-thione (22325-27-5) + N-ethylacetamide (625-50-3)

Guidance literature:

In chloroform; for 0.116667h;

DOI:10.14233/ajchem.2015.17607

upstream raw materials:

2-chloro-4,6-dimethylpyrimidine

thiourea

acetylacetone

1,2-bis(4,6-dimethylpyrimidin-2-yl)disulfane

Downstream raw materials:

3-Methoxy-thiobenzoic acid S-(4,6-dimethyl-pyrimidin-2-yl) ester

4-Nitro-thiobenzoic acid S-(4,6-dimethyl-pyrimidin-2-yl) ester

4,6-dimethyl-2-pyrimidinyl-N-(2,6-diethylphenyl)-N-(4,6-dimethyl-2-pyrimidinylthiomethyl)thiolcarbanilate

2-chloro-4,6-dimethylpyrimidine

Refernces

• 1、 -. "4-phenyl-3-((4,6-dimethylpyrimidin-2-yl thio)methyl)-5-benzylthio triazole compounds and application thereof". Paragraph 0021. . Retrieved 2016/10/17.
• 2、 Schiedel, Matthias,Rumpf, Tobias,Karaman, Berin,Lehotzky, Attila,Oláh, Judit,Gerhardt, Stefan,Ovádi, Judit,Sippl, Wolfgang,Einsle, Oliver,Jung, Manfred. "Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study". . p. 1599 - 1612. Retrieved 2016/03/05.