3-Chloro-2,5-dimethylpyrazine

Base Information

• Chemical Name: 3-Chloro-2,5-dimethylpyrazine
• CAS No.: 95-89-6
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 29339900
• European Community (EC) Number: 202-463-6
• NSC Number: 40820
• UNII: T2GK7ZW2ED
• DSSTox Substance ID: DTXSID60241715
• Nikkaji Number: J151.378H
• Wikidata: Q72449573
• Mol file: 95-89-6.mol

Synonyms:3-Chloro-2,5-dimethylpyrazine;95-89-6;Pyrazine, 3-chloro-2,5-dimethyl-;3-chloro-2,5-dimethyl-pyrazine;EINECS 202-463-6;T2GK7ZW2ED;2,5-DIMETHYL-3-CHLOROPYRAZINE;MFCD00006143;NSC-40820;2-CHLORO-3,6-DIMETHYLPYRAZINE;NSC40820;UNII-T2GK7ZW2ED;3-chlor-2,5-dimethylpyrazin;SCHEMBL599850;DTXSID60241715;BCP03019;BBL027561;NSC 40820;STL373556;AKOS000120130;3-Chloro-2,5-dimethylpyrazine, 98%;AB00609;CS-W004093;GS-6922;AC-25214;SY021607;LS-127597;AM20070405;C2040;FT-0631491;EN300-20613;A845490;Q-103303;Z104479244

Chemical Property of 3-Chloro-2,5-dimethylpyrazine

Chemical Property:

• Appearance/Colour: Colorless to brown liquid
• Vapor Pressure: 0.22mmHg at 25°C
• Refractive Index: n20/D 1.527(lit.)
• Boiling Point: 186.8 °C at 760 mmHg
• Flash Point: 83.3 °C
• PSA: 25.78000
• Density: 1.184 g/cm³
• LogP: 1.74680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2,5-dimethylpyrazine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CN=C(C(=N1)Cl)C
• Uses: 3-Chloro-2,5-dimethylpyrazine participates in cross-coupling reactions involving chlroropyrazines with 1-substituted indoles. Occasionally this reaction is catalyzed by iron.

Technology Process of 3-Chloro-2,5-dimethylpyrazine

There total 10 articles about 3-Chloro-2,5-dimethylpyrazine 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: 79.0%

2,5-dimethyl-pyrazine 1-oxide (6890-37-5) → 2,5-dimethyl-3-chloropyrazine (95-89-6)

Guidance literature:

With trichlorophosphate; for 6h; Reflux;

DOI:10.1002/ejoc.201000155

Reference yield: 21.0%

cyclo(-DL-Ala-DL-Ala-) (5625-46-7,5845-62-5) → 2,5-dimethyl-3-chloropyrazine (95-89-6) + 2,5-dichloro-3,6-dimethylpyrazine (27023-19-4)

Guidance literature:

With trichlorophosphate; Heating;

DOI:10.1039/p19960002345

Reference yield:

2,4-dimethyl-2-imidazoline (930-61-0) + chloroform (67-66-3,8013-54-5) → 2,4-dimethylpyrimidine (14331-54-5) + 2,5-dimethyl-pyrazine (123-32-0) + 2,5-dimethyl-3-chloropyrazine (95-89-6) + 2-chloro-3,5-dimethylpyrazine (38557-72-1)

Guidance literature:

at 550 ℃; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1039/P19800001431

upstream raw materials:

2,5-dimethyl-pyrazine 1-oxide

3,6-dimethyl-1H-pyrazin-2-one

cyclo(-DL-Ala-DL-Ala-)

2,4-dimethyl-2-imidazoline

Downstream raw materials:

(E)-2,5-dimethyl-3-stytylpyrazines

2-methoxycarbonyl-3,6-dimethylpyrazine

2-cyclohexylthio-3,6-dimethylpyrazine

2-(3,6-Dimethyl-pyrazin-2-yl)-1-(toluene-4-sulfonyl)-1H-indole