2,5-Dimethoxypyrazine

Base Information

• Chemical Name: 2,5-Dimethoxypyrazine
• CAS No.: 117856-61-8
• Molecular Formula: C₆H₈N₂O₂
• Molecular Weight: 140.142
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60556816
• Nikkaji Number: J419.521C
• Wikidata: Q82438512
• Mol file: 117856-61-8.mol

Synonyms:2,5-Dimethoxypyrazine;117856-61-8;SCHEMBL3138241;DTXSID60556816;BS-26634;CS-0452672

Chemical Property of 2,5-Dimethoxypyrazine

Chemical Property:

• Melting Point: 108 °C
• Boiling Point: 186.9±35.0 °C(Predicted)
• PKA: 0.14±0.10(Predicted)
• PSA: 44.24000
• Density: 1.131±0.06 g/cm3(Predicted)
• LogP: 0.49380
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 87.7

Purity/Quality:

95+% ^*data from raw suppliers

2,5-Dimethoxypyrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CN=C(C=N1)OC

Technology Process of 2,5-Dimethoxypyrazine

There total 4 articles about 2,5-Dimethoxypyrazine 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: 85.0%

2,5-dimethoxy-3,6-dihydropyrazine (117856-49-2) → 2,5-dimethoxypyrazine (117856-61-8)

Guidance literature:

With N-chloro-succinimide; azobisisobutyronitrile; In tetrachloromethane; for 12h; Heating;

Reference yield: 44.0%

2,5-dimethoxy-3,6-dihydropyrazine (117856-49-2) → 2,5-dimethoxypyrazine (117856-61-8) + 1-(dimethyl-t-butylsilyloxy)-3-trimethylsilyl-4-(p-tolylsulphonyl)butane (117856-55-0) + 2-[3-(tert-Butyl-dimethyl-silanyloxy)-1-(toluene-4-sulfonylmethyl)-1-trimethylsilanyl-propyl]-3,6-dimethoxy-2,5-dihydro-pyrazine (117856-53-8,117856-54-9)

Guidance literature:

With Z-⁽²⁷⁾; lithium dicyclohexylamide; In tetrahydrofuran; at -40 ℃; for 72h;

Reference yield: 21.0%

(1Z)-4-(dimethyl-t-butylsilyloxy)-2-trimethylsilyl-1-(p-tolylsulphonyl)but-1-ene (104124-05-2) → 2,5-dimethoxypyrazine (117856-61-8) + 1-(dimethyl-t-butylsilyloxy)-3-trimethylsilyl-4-(p-tolylsulphonyl)butane (117856-55-0) + 2-[3-(tert-Butyl-dimethyl-silanyloxy)-1-(toluene-4-sulfonylmethyl)-1-trimethylsilanyl-propyl]-3,6-dimethoxy-2,5-dihydro-pyrazine (117856-53-8,117856-54-9)

Guidance literature:

With bis imino ether ⁽¹⁸⁾; lithium dicyclohexylamide; In tetrahydrofuran; at -40 ℃; for 72h;

upstream raw materials:

2,5-dimethoxy-3,6-dihydropyrazine

(1Z)-4-(dimethyl-t-butylsilyloxy)-2-trimethylsilyl-1-(p-tolylsulphonyl)but-1-ene