2-(Chloromethyl)pyrazine

Base Information

• Chemical Name: 2-(Chloromethyl)pyrazine
• CAS No.: 39204-47-2
• Deprecated CAS: 856611-53-5
• Molecular Formula: C5H5 Cl N2
• Molecular Weight: 128.561
• Hs Code.: 2933998090
• European Community (EC) Number: 254-353-2
• UNII: E57G47M2RW
• DSSTox Substance ID: DTXSID4068167
• Nikkaji Number: J261.337I
• Wikidata: Q72454750
• Mol file: 39204-47-2.mol

Synonyms:2-(chloromethyl)pyrazine;39204-47-2;(Chloromethyl)pyrazine;2-Chloromethyl-pyrazine;Pyrazine, (chloromethyl)-;2-Chloromethylpyrazine;chloromethylpyrazine;Pyrazine, 2-(chloromethyl)-;2-(chloromethyl)-pyrazine;EINECS 254-353-2;MFCD10697790;pyrazinylmethyl chloride;SCHEMBL246396;E57G47M2RW;DTXSID4068167;2-(Chloromethyl)pyrazine (HCl);AKOS015940574;PB20483;AM100758;AS-33435;CS-0053751;FT-0684701;J-506324;F2167-4934

Chemical Property of 2-(Chloromethyl)pyrazine

Chemical Property:

• Vapor Pressure: 0.407mmHg at 25°C
• Boiling Point: 202.9°Cat760mmHg
• PKA: 0.22±0.10(Predicted)
• Flash Point: 95.3°C
• PSA: 25.78000
• Density: 1.241g/cm³
• LogP: 1.21540
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.0141259
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Chloromethyl)pyrazine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=N1)CCl
• Use Description: Chloromethylpyrazine, a chemical compound, finds applications in various fields. In the pharmaceutical and agrochemical industries, it serves as a valuable intermediate for the synthesis of organic molecules, contributing to the development of pharmaceutical drugs, pesticides, and herbicides. Its role as a building block enables the creation of complex compounds with specific biological activities. In the field of materials science, chloromethylpyrazine may have uses as a precursor for the production of specialized materials and polymers, though these applications might require further research and development. Additionally, in the realm of organic chemistry research, it can be employed as a reagent for chemical reactions and the creation of novel organic molecules, aiding in the discovery of new compounds and synthetic pathways. Its versatility as a chemical intermediate underscores its significance in pharmaceuticals, agrochemicals, materials science, and scientific research, playing crucial roles in advancing innovation in these diverse fields.

Technology Process of 2-(Chloromethyl)pyrazine

There total 9 articles about 2-(Chloromethyl)pyrazine 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: 100.0%

pyrazin-2-ylmethanol (6705-33-5) → 2-(chloromethyl)pyrazine (39204-47-2)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 89.0%

2-Methylpyrazine (109-08-0) → 2-(chloromethyl)pyrazine (39204-47-2)

Guidance literature:

With N-chloro-succinimide; Perbenzoic acid; In tetrachloromethane; for 24h; Heating;

DOI:10.1055/s-1984-30930

Reference yield: 15.0%

2-Methylpyrazine (109-08-0) → Dichloromethylpyrazine (40639-68-7) + 2-(chloromethyl)pyrazine (39204-47-2)

Guidance literature:

With N-chloro-succinimide; Perbenzoic acid; In tetrachloromethane; for 30h; Heating;

DOI:10.1007/BF00480765

upstream raw materials:

2-Methylpyrazine

pyrazin-2-ylmethanol

N-chloro-succinimide

2-pyrazylcarboxylic acid

Downstream raw materials:

4-chloro-2-(imidazo[1,5-a]pyrazin-3-yl)phenol

5-chloro-2-hydroxy-N-(pyrazin-2-ylmethyl)benzamide

2-aminomethylpyrazine

Refernces

• 1、 Zhang, Xiao-An,Hayes, Dugan,Smith, Sarah J.,Friedle, Simorie,Lippard, Stephen J.. "New strategy for quantifying biological zinc by a modified zinpyr fluorescence sensor". . p. 15788 - 15789. Retrieved 2008.
• 2、 Liu, Xue,Zhou, Jian,Bao, Xin,Yan, Zheng,Peng, Guo,Rouzières, Mathieu,Mathonière, Corine,Liu, Jun-Liang,Clérac, Rodolphe. "Mononuclear Fe(II) Complexes Based on the Methylpyrazinyl-Diamine Ligand: Chemical-, Thermo- and Photocontrol of Their Magnetic Switchability". . p. 12148 - 12157. Retrieved 2017.
• 3、 -. "Monoacylglycerol Lipase Modulators". Paragraph 0371; 0528. . Retrieved 2020/04/24.
• 4、 Fang, Kang,Zhang, Xiao-Hua,Han, Yao-Tian,Wu, Gao-Rong,Cai, De-Sheng,Xue, Nan-Nan,Guo, Wen-Bo,Yang, Yu-Qin,Chen, Meng,Zhang, Xin-Yu,Wang, Hui,Ma, Tao,Wang, Peng-Long,Lei, Hai-Min. "Design, synthesis, and cytotoxic analysis of novel hederagenin–pyrazine derivatives based on partial least squares discriminant analysis". . . Retrieved 2018/10/20.