3-Chloro-2,5-diethylpyrazine

Base Information

• Chemical Name: 3-Chloro-2,5-diethylpyrazine
• CAS No.: 67714-53-8
• Molecular Formula: C8H11ClN2
• Molecular Weight: 170.642
• Hs Code.: 2933990090
• NSC Number: 40821
• DSSTox Substance ID: DTXSID60285179
• Wikidata: Q82020459
• Mol file: 67714-53-8.mol

Synonyms:3-chloro-2,5-diethylpyrazine;67714-53-8;3-CHLORO-2,5-DIETHYL PYRAZINE;NSC40821;2-chloro-3,6-diethylpyrazine;SCHEMBL3839050;3-chloro-2,5-diethyl-pyrazine;2-chloro-3,6-diethyl Pyrazine;DTXSID60285179;OHKRYVAKYCCYNX-UHFFFAOYSA-N;NSC-40821;AKOS005258264;CS-0054940;FT-0761611;C16219;2-METHYL-1,4-NAPHTHOQUINONESODIUMBISULFATE

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

Chemical Property:

• Boiling Point: 215.1 °C a t760 mmHg
• Flash Point: 104.2 °C
• PSA: 25.78000
• Density: 1.111 g/cm³
• LogP: 2.25480
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.0610761
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2,5-diethylpyrazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=C(C(=N1)Cl)CC

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

There total 2 articles about 3-Chloro-2,5-diethylpyrazine 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: 88.0%

3,6-diethyl-piperazine-2,5-dione (5625-42-3) → 3-chloro-2,5-diethylpyrazine (67714-53-8)

Guidance literature:

With tetramethlyammonium chloride; trichlorophosphate; In 1,4-dioxane; at 20 - 75 ℃;

Reference yield:

→ 3-chloro-2,5-diethylpyrazine (67714-53-8)

Guidance literature:

α-Aminobuttersaeure-anhydrid-Va, POCl3/PCl5;

Reference yield: 98.0%

2,4-dichlorophenylboronic acid (68716-47-2) + 3-chloro-2,5-diethylpyrazine (67714-53-8) → 3-(2,4-dichlorophenyl)-2,5-diethylpyrazine (535934-84-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; toluene; for 4h; Inert atmosphere; Heating;

DOI:10.1021/jm200365y

upstream raw materials:

3,6-diethyl-piperazine-2,5-dione

Downstream raw materials:

1-Benzyl-2-(3,6-diethyl-pyrazin-2-yl)-1H-indole

3-(3,6-Diethyl-pyrazin-2-yl)-prop-2-yn-1-ol

(Z)-2-(3,6-diethyl-2-pyrazinyl)acrylonitrile

(E)-2-(3,6-diethyl-2-pyrazinyl)acrylonitrile