2-Chloropyrimidine-5-sulfonyl chloride

Base Information

• Chemical Name: 2-Chloropyrimidine-5-sulfonyl chloride
• CAS No.: 98026-88-1
• Molecular Formula: C4H2Cl2N2O2S
• Molecular Weight: 213.044
• Hs Code.: 2933599090
• European Community (EC) Number: 801-061-3
• DSSTox Substance ID: DTXSID30655769
• Wikidata: Q82570033
• Mol file: 98026-88-1.mol

Synonyms:98026-88-1;2-chloropyrimidine-5-sulfonyl chloride;2-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE;5-Pyrimidinesulfonyl chloride, 2-chloro-;MFCD06657208;2-Chloropyrimidine-5-sulfonylchloride;2-Chloro-Pyrimidine-5-SulfonylChloride;SCHEMBL16969;DTXSID30655769;DMAOAJYJIATWJS-UHFFFAOYSA-N;AKOS009132858;CS-W004646;SY110615;CS-0067140;FT-0650262;2-CHLORO-5-PYRIMIDINESULFONYL CHLORIDE;EN300-31378;F31292;2-chloro-pyrimidine-5-sulfonyl chloride, AldrichCPR;Z255150890

Chemical Property of 2-Chloropyrimidine-5-sulfonyl chloride

Chemical Property:

• Melting Point: 66-67 °C
• Boiling Point: 383.2±15.0 °C(Predicted)
• PKA: -5.59±0.22(Predicted)
• PSA: 68.30000
• Density: 1.711±0.06 g/cm3(Predicted)
• LogP: 2.13830
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 211.9214039
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

2-chloropyrimidine-5-sulfonylchloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloropyrimidine-5-sulfonyl chloride

There total 3 articles about 2-Chloropyrimidine-5-sulfonyl chloride 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: 96.0%

2-hydroxy-5-pyrimidinesulfonic acid (40828-51-1) → 2-chloro-pyrimidine-5-sulfonyl chloride (98026-88-1)

Guidance literature:

With phosphorus pentachloride; at 180 ℃; for 4h;

Reference yield:

2-oxo-1,2-dihydro-pyrimidine-5-sulfonic acid (40828-51-1) → 2-chloro-pyrimidine-5-sulfonyl chloride (98026-88-1)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/ja01528a036

Reference yield:

2-amino-5-pyrimidinesulfonic acid (39687-77-9) → 2-chloro-pyrimidine-5-sulfonyl chloride (98026-88-1)

Guidance literature:

With phosphorus pentachloride; at 180 ℃; for 4h;

DOI:10.1016/j.bmcl.2013.04.049

upstream raw materials:

2-oxo-1,2-dihydro-pyrimidine-5-sulfonic acid

2-hydroxy-5-pyrimidinesulfonic acid

2-amino-5-pyrimidinesulfonic acid

Downstream raw materials:

ethyl 1-[(2-chloro-5-pyrimidine)sulfonyl]-5-phenyl-1H-pyrrole-3-carboxylate

1-(2-chloropyrimidin-5-ylsulfonyl)-5-phenyl-1H-pyrrole-3-carbaldehyde