2-Chloro-5-methylpyrazine

Base Information

• Chemical Name: 2-Chloro-5-methylpyrazine
• CAS No.: 59303-10-5
• Molecular Formula: C5H5ClN2
• Molecular Weight: 128.561
• Hs Code.: 2933990090
• European Community (EC) Number: 690-847-8
• DSSTox Substance ID: DTXSID70503972
• Nikkaji Number: J29.018A
• Wikidata: Q72454751
• Mol file: 59303-10-5.mol

Synonyms:2-Chloro-5-methylpyrazine;59303-10-5;2-chloro-5-methyl-pyrazine;MFCD00055039;pyrazine, 2-chloro-5-methyl-;SCHEMBL755027;DTXSID70503972;XSDAJECCWPYVGW-UHFFFAOYSA-N;BCP18846;AKOS006272103;AB02272;CS-W009243;PS-4979;AM804101;SY029718;FT-0688429;EN300-90420;A832253;Z1198149378

Chemical Property of 2-Chloro-5-methylpyrazine

Chemical Property:

• Vapor Pressure: 1.798mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 172.172 °C at 760 mmHg
• PKA: -0.31±0.10(Predicted)
• Flash Point: 72.24 °C
• PSA: 25.78000
• Density: 1.235 g/cm³
• LogP: 1.43840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.0141259
• Heavy Atom Count: 8
• Complexity: 76.8

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-5-methylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=N1)Cl

Technology Process of 2-Chloro-5-methylpyrazine

There total 2 articles about 2-Chloro-5-methylpyrazine 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:

4-methyl-1H-imidazole (822-36-6) + chloroform (67-66-3,8013-54-5) → 2-chloro-6-methylpyrazine (38557-71-0) + 4-methyl-6-chloropyrimidine (3435-25-4) + 2-chloro-5-methyl-pyrazine (59303-10-5) + 5-chloro-4-methylpyrimidine (54198-82-2)

Guidance literature:

at 550 ℃; Yield given. Yields of byproduct given;

DOI:10.1039/P19800001427

Reference yield:

2-Methylpyrazine (109-08-0) → 2-chloro-6-methylpyrazine (38557-71-0) + 2-chloro-5-methyl-pyrazine (59303-10-5) + 2-chloro-3-methylpyrazine (95-58-9)

Guidance literature:

With chlorine; triethylamine; In 1,2-dichloro-ethane; at 45 - 60 ℃; for 4.5h; under 150.015 - 225.023 Torr; Large scale;

Reference yield: 85.0%

2-chloro-5-methyl-pyrazine (59303-10-5) + benzophenone hydrazone (5350-57-2) → 2‐[2‐(diphenylmethylidene)hydrazin‐1‐yl]‐5‐methylpyrazine

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; johnphos; sodium t-butanolate; In toluene; at 90 ℃; for 5h; Inert atmosphere; Sealed tube;

upstream raw materials:

4-methyl-1H-imidazole

chloroform

2-Methylpyrazine

Downstream raw materials:

5-methylpyrazin-2-amine

2-methyl-5-phenoxypyrazine

5-(4-methanesulfonyl-phenyl)-2-[1-(5-methyl-pyrazin-2-yl)-piperidin-4-yl]-2,3-dihydro-furo[2,3c]pyridine

N-cyclopropyl-N-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-4-oxazol-5-ylbenzamide