2-(Chloromethyl)-5-methylpyrazine

Base Information

• Chemical Name: 2-(Chloromethyl)-5-methylpyrazine
• CAS No.: 81831-68-7
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 2933990090
• European Community (EC) Number: 886-901-7
• DSSTox Substance ID: DTXSID00529403
• Nikkaji Number: J292.692J
• Wikidata: Q82399805
• Mol file: 81831-68-7.mol

Synonyms:2-(chloromethyl)-5-methylpyrazine;81831-68-7;SCHEMBL2020285;2-Chloromethyl-5-methyl-pyrazine;DTXSID00529403;DDGKEWIOOGLGAK-UHFFFAOYSA-N;2-methyl 5-pyrazinylmethyl chloride;2-methyl-5-pyrazinylmethyl chloride;MFCD10697788;AKOS009360101;PB10823;BS-13080;CS-0052238;EN300-61827;A19207;J-506306

Chemical Property of 2-(Chloromethyl)-5-methylpyrazine

Chemical Property:

• Vapor Pressure: 0.247mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 212.8 °C at 760 mmHg
• PKA: 1.01±0.10(Predicted)
• Flash Point: 102.535 °C
• PSA: 25.78000
• Density: 1.19 g/cm³
• LogP: 1.52380
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

2-(Chloromethyl)-5-methylpyrazine 97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=N1)CCl

Technology Process of 2-(Chloromethyl)-5-methylpyrazine

There total 4 articles about 2-(Chloromethyl)-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: 80.0%

2,5-dimethyl-pyrazine (123-32-0) → 2-methyl-5-pyrazinylmethyl chloride (81831-68-7)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In tetrachloromethane; Heating;

Reference yield: 21.0%

2,5-dimethyl-pyrazine (123-32-0) → 2-Chloromethyl-5-dichloromethylpyrazine (123624-89-5) + 2-methyl-5-pyrazinylmethyl chloride (81831-68-7) + 2,5-bis(chloromethyl)pyrazine (58549-95-4)

Guidance literature:

With N-chloro-succinimide; dibenzoyl peroxide; In tetrachloromethane; for 24h; Heating;

Reference yield:

2-Hydroxymethyl-5-methylpyrazine (61892-95-3) → 2-methyl-5-pyrazinylmethyl chloride (81831-68-7)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 26 ℃; for 16h;

upstream raw materials:

2,5-dimethyl-pyrazine

2-Hydroxymethyl-5-methylpyrazine

Downstream raw materials:

1-(2-methyl-5-pyrazinylmethyl)-2-(nitromethylene)imidazolidine

5-Benzyloxymethyl-2-methyl-pyrazine 1-oxide

2-ethoxymethyl-5-methylpyrazine-4-oxide

2-methoxymethyl-5-methylpyrazine-4-oxide

Refernces

• 1、 -. "Hederagenin compound H-X with anti-lung cancer effect and preparation method and application thereof". Paragraph 0045; 0046; 0118; 0119. . Retrieved 2020/04/17.
• 2、 -. "NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS". Page/Page column 92. . Retrieved 2019/03/05.