4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

Base Information

• Chemical Name: 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
• CAS No.: 113583-35-0
• Molecular Formula: C7H10N2O4S
• Molecular Weight: 218.233
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID10356944
• Nikkaji Number: J1.172.425F
• Wikidata: Q72490764
• ChEMBL ID: CHEMBL1410645
• Mol file: 113583-35-0.mol

Synonyms:113583-35-0;4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine;2-Methanesulfonyl-4,6-dimethoxypyrimidine;2-methylsulfonyl-4,6-dimethoxypyrimidine;4,6-Dimethoxy-2-methylsulfonylpyrimidine;2-Methylsulfony-4,6-dimethoxypyridine;2-methanesulfonyl-4,6-dimethoxy-pyrimidine;Pyrimidine, 4,6-dimethoxy-2-(methylsulfonyl)-;4,6-dimethoxy-2-(methylsulphonyl)pyrimidine;MFCD00672151;4,6-dimethoxy-2-methylsulfonyl-pyrimidine;Maybridge1_008822;MLS000701367;SCHEMBL1067726;CHEMBL1410645;HMS566I22;2-Mesyl-4,6-dimethoxypyrimidine;DTXSID10356944;HMS2546H12;CCG-52064;AKOS005107480;AC-5459;CS-O-10816;MS-1693;PB30661;SB20225;4,6-dimethoxy-2methylsulfonylpyrimidine;4,6-dimethoxy-2-methanesulfonylpyrimidine;4,6-dimethoxy-2-methylsulphonylpyrimidine;4,6-dimethoxy2-methylsulphonyl-pyrimidine;4,6-dimethoxyl-2-methylsulfonylpyrimidine;SMR000229180;SY015392;2-methanesulfonyl-4,6-dimethoxy-pyrimidin;2-methylsulfonyl-4,6-dimethoxy pyrimidine;4,6-dimethoxy-2-methanesulphonylpyrimidine;4,6-Dimethoxy-2-methyl-sulfonylpyrimidime;2-methylsulphonyl-4,6-dimethoxy-pyrimidine;4,6-dimethoxy-2-methyl sulfonyl pyrimidine;4,6-dimethoxy-2-methylsulphonyl pyrimidine;4,6-dimethoxy-2-methylsulphonyl-pyrimidine;4,6-dimethoxy-2-pyrimidinyl methyl sulfone;2-methane-sulfonyl-4,6-dimethoxy-pyrimidine;4,6-dimethoxy-2-(methylsulfonyl) pyrimidine;4,6-dimethoxypyrimidine-2-yl methyl sulfone;AM20080083;CS-0019036;D3101;FT-0617256;4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine, 97%;J-510109;SR-01000641319-1

Chemical Property of 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 1.23E-06mmHg at 25°C
• Melting Point: 129-133 °C(lit.)
• Refractive Index: 1.497
• Boiling Point: 412.558 °C at 760 mmHg
• PKA: -3.39±0.30(Predicted)
• Flash Point: 203.308 °C
• PSA: 86.76000
• Density: 1.317 g/cm³
• LogP: 0.97810
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 218.03612798
• Heavy Atom Count: 14
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)S(=O)(=O)C)OC
• Uses: 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine was used to prepare nonpeptidic endothelin-A receptor antagonists. 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine may be used in the microwave assisted preparation of 4,6-dimethoxy-N-methylpyrimidin-2-amine by reacting with methylamine. It may also be used to prepare 2′-pyrimidinecarbonylsulfonanilide derivatives with potent herbicidal activity.

Technology Process of 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

There total 7 articles about 4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine 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: 99.0%

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine (90905-46-7) → 4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0)

Guidance literature:

With sodium tungstate (VI) dihydrate; tetrabutylammomium bromide; dihydrogen peroxide; acetic acid; In water; at 45 - 55 ℃;

DOI:10.14233/ajchem.2014.16083

Reference yield:

magnesium salt hexahydrate + 4,6-dimethoxy-2-(methylsulfanyl)pyrimidine (90905-46-7) → 4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0)

Guidance literature:

With potassium carbonate; sodium sulfite; In tetrahydrofuran; methanol; water; ethyl acetate;

Reference yield:

4,6-Dichloro-2-(methylthio)pyrimidine (6299-25-8) → 4,6-dimethoxypyrimidin-2-yl methyl sulfone (113583-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 25 °C

2: 3-chloroperoxybenzoic acid / CH₂Cl₂ / 5 h / 30 °C

With 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1002/jms.1260

upstream raw materials:

4,6-dimethoxy-2-(methylsulfanyl)pyrimidine

sodium methansulfinate

2-chloro-4,6-dimethoxypyrimidine

4,6-Dichloro-2-(methylthio)pyrimidine

Downstream raw materials:

(S)-methyl-2-(4,6-dimethoxypyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropionate

2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-ethoxy-3,3-diphenyl-propionic acid methyl ester

2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-3,3-di-p-tolyl-propionic acid methyl ester

2-(4,6-dimethoxy-pyrimidin-2-yl-oxy)benzaldehyde

Refernces

• 1、 Zhang, Jing,Zhang, Li,Zhou, Ying,Guo, Yin-Long. "A novel pyrimidine-based stable-isotope labeling reagent and its application to quantitative analysis using matrix-assisted laser desorption/ionization mass spectrometry". . p. 1514 - 1521. Retrieved 2007.
• 2、 Ravi,Mathew,Padmanabhan,Unny,Sivaprasad. "A facile synthesis of [14C]pyrithiobac-sodium". . p. 339 - 343. Retrieved 2006.
• 3、 -. "PROCESSES FOR THE PREPARATION OF BISPYRIBAC SODIUM AND INTERMEDIATES THEREOF". Page/Page column 17. . Retrieved 2014/09/03.