2-Chloro-3,5,6-trimethylpyrazine

Base Information

• Chemical Name: 2-Chloro-3,5,6-trimethylpyrazine
• CAS No.: 68303-35-5
• Molecular Formula: C₇H₉ClN₂
• Molecular Weight: 156.615
• European Community (EC) Number: 838-420-9
• Mol file: 68303-35-5.mol

Synonyms:2-Chloro-3,5,6-trimethylpyrazine;68303-35-5;SCHEMBL3563205;AKOS014984973;CS-0265231;FT-0766307;EN300-97142;Z1267672098

Chemical Property of 2-Chloro-3,5,6-trimethylpyrazine

Chemical Property:

• PSA: 25.78000
• LogP: 2.05520
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

2-chloro-3,5,6-trimethylpyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(C(=N1)C)Cl)C

Technology Process of 2-Chloro-3,5,6-trimethylpyrazine

There total 7 articles about 2-Chloro-3,5,6-trimethylpyrazine 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: 50.0%

2,3,5-trimethylpyrazine (14667-55-1) → 2-chloro-3,5,6-trimethylpyrazine (68303-35-5)

Guidance literature:

2,3,5-trimethylpyrazine; With dihydrogen peroxide; acetic acid; at 0 - 60 ℃;

With sulfuric acid; trichlorophosphate; at 70 ℃; for 5h;

DOI:10.1021/np300388y

Reference yield: 48.0%

2,3,5-trimethylpyrazine-1-N-oxide (96549-09-6) → 2-chloro-3,5,6-trimethylpyrazine (68303-35-5)

Guidance literature:

With trichlorophosphate; for 6h; Reflux;

DOI:10.1002/ejoc.201000155

Reference yield: 45.9%

3,5,6-trimethyl-1,2-dihydropyrazin-2-one (57355-08-5) → 2-chloro-3,5,6-trimethylpyrazine (68303-35-5)

Guidance literature:

With trichlorophosphate; sulfuric acid; for 20h; Heating;

DOI:10.1021/ol991367f

upstream raw materials:

3,5,6-trimethyl-1,2-dihydropyrazin-2-one

2,4,5-trimethyl-1H-imidazole

1,1,1,3,3,3-hexachloro-propan-2-one

chloroform

Downstream raw materials:

2,3,5-trimethyl-6-ethylpyrazine

2-hydrazino-3,5,6-trimethylpyrazine

Refernces

• 1、 -. "Compound or pharmaceutically acceptable salt, isomer, prodrug, polymorph or solvate thereof". Paragraph 0053; 0058-0060. . Retrieved 2021/03/13.
• 2、 Bohman, Bjoern,Jeffares, Lynne,Barrow, Russell A.,Phillips, Ryan D.,Peakall, Rod,Flematti, Gavin,Dixon, Kingsley W.,Byrne, Lindsay T.,Skelton, Brian W.. "Discovery of tetrasubstituted pyrazines as semiochemicals in a sexually deceptive orchid". . p. 1589 - 1594,6. Retrieved 2020/09/09.