2-Chloro-3-methylpyrazine

Base Information

• Chemical Name: 2-Chloro-3-methylpyrazine
• CAS No.: 95-58-9
• Molecular Formula: C5H5ClN2
• Molecular Weight: 128.561
• Hs Code.: 2933990090
• European Community (EC) Number: 202-434-8
• NSC Number: 41093
• UNII: ZWK9VBZ5ZX
• DSSTox Substance ID: DTXSID4059124
• Nikkaji Number: J29.017C
• Mol file: 95-58-9.mol

Synonyms:2-Chloro-3-methylpyrazine;95-58-9;Pyrazine, 2-chloro-3-methyl-;2-Methyl-3-chloropyrazine;2-Chloro-3-methyl-pyrazine;ZWK9VBZ5ZX;MFCD00023279;EINECS 202-434-8;NSC 41093;NSC-41093;3-chloro-2-methylpyrazine;NSC41093;UNII-ZWK9VBZ5ZX;2-chlor-3-methylpyrazin;2-chloro-3-methylpyrazin;3-Chloro-2-methyl pyrazine;SCHEMBL610054;DTXSID4059124;WZHWPZQQPWKEAV-UHFFFAOYSA-;BCP23110;BBL102668;STL556472;AKOS006274807;2-chloro-3-methylpyrazine, AldrichCPR;CS-W002135;PB18413;SY008899;AM20070404;FT-0600783;EN300-100267;Q-103291;Z1198147877

Chemical Property of 2-Chloro-3-methylpyrazine

Chemical Property:

• Vapor Pressure: 2.035mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 169.5 °C at 760 mmHg
• PKA: -0.31±0.10(Predicted)
• Flash Point: 70.2 °C
• PSA: 25.78000
• Density: 1.234 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:

99% ^*data from raw suppliers

2-Chloro-3-methylpyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN=C1Cl

Technology Process of 2-Chloro-3-methylpyrazine

There total 8 articles about 2-Chloro-3-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: 53.0%

2-Methylpyrazine (109-08-0) → 2-chloro-3-methylpyrazine (95-58-9)

Guidance literature:

With pyridine; In tetrachloromethane;

Reference yield:

2-methylimidazole (693-98-1) + chloroform (67-66-3,8013-54-5) → 4-chloro-2-methylpyrimidine (4994-86-9) + 5-chloro-2-methylpyrimidine (54198-89-9) + 2-chloro-3-methylpyrazine (95-58-9)

Guidance literature:

at 550 ℃; Product distribution; reactions of 1-unsubstituted imidazoles with chloroform at 550 deg C; liquid-phase reactions with sodium trichloroacetate and hexachloroacetone;

DOI:10.1039/P19800001427

Reference yield:

2,4-dimethyl-2-imidazoline (930-61-0) + chloroform (67-66-3,8013-54-5) → 2-methylpyrimidine (5053-43-0) + 2-chloro-3-methylpyrazine (95-58-9) + 2-methylimidazole (693-98-1) + 2,4-Dimethylimidazole (930-62-1)

Guidance literature:

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

DOI:10.1039/P19800001431

upstream raw materials:

3-methylpyrazin-2(1H)-one

lysidine

chloroform

2-methylimidazole

Downstream raw materials:

[2H]-TTA-A₈

2-(3-chloropyrazinyl)methyl bromide

thieno<2,3-b>pyrazine carboxylate d'ethyle-6

2-methyl-3-(methylthio)pyrazine

Refernces

• 1、 -. "A halogenated nitrogen-containing unsaturated cyclic hydrocarbon preparation method". Paragraph 0021. . Retrieved 2018/05/16.
• 2、 -. "Aromatic amino ethers as pain relieving agents". . . Retrieved 2008/06/13.