6-Chloropyrazine-2-carbaldehyde

Base Information

• Chemical Name: 6-Chloropyrazine-2-carbaldehyde
• CAS No.: 874114-34-8
• Molecular Formula: C₅H₃ClN₂O
• Molecular Weight: 142.545
• Hs Code.: 2933990090
• European Community (EC) Number: 857-115-1
• DSSTox Substance ID: DTXSID30470696
• Nikkaji Number: J2.260.384A
• Wikidata: Q72458166
• Mol file: 874114-34-8.mol

Synonyms:6-chloropyrazine-2-carbaldehyde;874114-34-8;Pyrazinecarboxaldehyde, 6-chloro-;SCHEMBL14688037;DTXSID30470696;NWLIHAPBHUZMAD-UHFFFAOYSA-N;MFCD10698568;AKOS006303193;CS-W006097;PB16295;6-CHLOROPYRAZINE-2-CARBOXALDEHYDE;AS-39394;FT-0753744;EN300-1600814;A862636;A1-00129

Chemical Property of 6-Chloropyrazine-2-carbaldehyde

Chemical Property:

• Boiling Point: 215.4±35.0℃ (760 Torr)
• PKA: -1.52±0.10(Predicted)
• Flash Point: 84.1±25.9℃
• PSA: 42.85000
• Density: 1.432±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 0.94250
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.9933904
• Heavy Atom Count: 9
• Complexity: 109

Purity/Quality:

97% ^*data from raw suppliers

6-chloropyrazine-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(C=N1)Cl)C=O

Technology Process of 6-Chloropyrazine-2-carbaldehyde

There total 5 articles about 6-Chloropyrazine-2-carbaldehyde 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: 68.0%

2-chloro-6-(1,3-dithian-2-yl)pyrazine (874114-31-5) → 6-chloropyrazine-2-carbaldehyde (874114-34-8)

Guidance literature:

With calcium carbonate; methyl iodide; In water; acetonitrile; at 60 ℃; for 24h;

DOI:10.1016/j.tetlet.2005.10.146

Reference yield: 59.0%

(6-chloropyrazin-2-yl)methanol (1240602-95-2) → 6-chloropyrazine-2-carbaldehyde (874114-34-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 25 ℃; for 1h;

Reference yield:

6-chloro-pyrazine-2-carboxylic acid methyl ester (23611-75-8) → 6-chloropyrazine-2-carbaldehyde (874114-34-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / water / 0 - 20 °C

2: Dess-Martin periodane / dichloromethane / 3 h / 20 °C

With sodium tetrahydroborate; Dess-Martin periodane; In dichloromethane; water;

upstream raw materials:

2-chloro-6-(1,3-dithian-2-yl)pyrazine

methyl pyrazine-2-carboxylate

2-(methoxycarbonyl)pyrazine 1-oxide

6-chloro-pyrazine-2-carboxylic acid methyl ester

Downstream raw materials:

1-(6-chloropyrazin-2-yl)ethanone