5-Chloro-2-(methylsulfonyl)pyrimidine

Base Information

• Chemical Name: 5-Chloro-2-(methylsulfonyl)pyrimidine
• CAS No.: 38275-47-7
• Molecular Formula: C5H5 Cl N2 O2 S
• Molecular Weight: 192.626
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID80369460
• Nikkaji Number: J1.186.437F
• Wikidata: Q82156544
• Mol file: 38275-47-7.mol

Synonyms:5-chloro-2-(methylsulfonyl)pyrimidine;38275-47-7;5-chloro-2-methylsulfonylpyrimidine;5-chloro-2-methanesulfonylpyrimidine;MFCD00187881;5-chloro-2-methylsulfonyl-pyrimidine;Maybridge3_005136;SCHEMBL1940334;DTXSID80369460;5-Chlor-2-methylsulfonylpyrimidin;UEWMTFZGDJZUPJ-UHFFFAOYSA-N;HMS1445J10;AMY20386;5-chloro-2-methylsulphonylpyrimidine;5-chloro-2(methylsulfonyl)pyrimidine;BBL104049;CCG-44633;STL557863;2-(Methylsulfonyl)-5-chloropyrimidine;AKOS000267746;5-chloro-2-(methylsulphonyl)pyrimidine;AB04484;IDI1_016523;5-chloro-2-(methylsulphonyl) pyrimidine;AS-32118;SY021541;CS-0312691;EN300-85331;5-Chloro-2-(methylsulfonyl)pyrimidine, AldrichCPR;SR-01000634454-1;Z1198151827

Chemical Property of 5-Chloro-2-(methylsulfonyl)pyrimidine

Chemical Property:

• Boiling Point: 371.2±34.0 °C(Predicted)
• PKA: -4.78±0.22(Predicted)
• PSA: 68.30000
• Density: 1.486±0.06 g/cm3(Predicted)
• LogP: 1.61430
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.9760263
• Heavy Atom Count: 11
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-methanesulfonylpyrimidine 95%+ ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=NC=C(C=N1)Cl

Technology Process of 5-Chloro-2-(methylsulfonyl)pyrimidine

There total 6 articles about 5-Chloro-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: 93.0%

2-methylthio-5-chloropyrimidine (38275-42-2) → 5-chloro-2-(methylsulfonyl)pyrimidine (38275-47-7)

Guidance literature:

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In water; ethyl acetate; at 60 - 65 ℃; for 2h;

Reference yield: 88.0%

5-chloro-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid (38275-34-2) → 5-chloro-2-(methylsulfonyl)pyrimidine (38275-47-7)

Guidance literature:

With methoxybenzene; Heating / reflux;

Reference yield: 32.0%

5-chloro-4-(2-methyl-2-propenyloxy)-2-methylsulfonylpyrimidine → 5-chloro-2-(methylsulfonyl)pyrimidine (38275-47-7) + 5-chloro-4-(2-methyl-1-propenyl)-2-methylsulfonylpyrimidine

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzonitrile; toluene; for 0.333333h; microwave irradiation;

DOI:10.1002/jhet.5570400204

upstream raw materials:

5-chloro-2-(methylsulfonyl)-4-pyrimidinecarboxylic acid

benzaldehyde

5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid

2-methylthio-5-chloropyrimidine

Downstream raw materials:

5-chloropyrimidine-2-carbonitrile

5-chloro-2-(4-methoxy-phenylsulfanyl)-pyrimidine

2-(4-aminophenoxy)-5-chloropyrimidine

3-chloro-2-[3-(difluoromethyl)isoxazol-5-yl]phenyl 5-chloropyrimidin-2-yl ether