2-(6-Chloropyrazin-2-yl)acetic acid

Base Information

• Chemical Name: 2-(6-Chloropyrazin-2-yl)acetic acid
• CAS No.: 930798-25-7
• Molecular Formula: C₆H₅ClN₂O₂
• Molecular Weight: 172.571
• Hs Code.: 2933990090
• European Community (EC) Number: 807-190-1
• DSSTox Substance ID: DTXSID30581695
• Nikkaji Number: J2.641.418K
• Wikidata: Q82472913
• Mol file: 930798-25-7.mol

Synonyms:930798-25-7;2-(6-chloropyrazin-2-yl)acetic acid;(6-CHLOROPYRAZIN-2-YL)ACETIC ACID;SCHEMBL5302445;2-Pyrazineacetic acid,6-chloro-;DTXSID30581695;GKCGKFUOTLQOGO-UHFFFAOYSA-N;2-(6-chloropyrazin-2-yl)aceticacid;MFCD09907855;AKOS006312733;CS-W021420;J-501667

Chemical Property of 2-(6-Chloropyrazin-2-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0.000164mmHg at 25°C
• Boiling Point: 317.2oC at 760 mmHg
• PKA: 3.50±0.10(Predicted)
• Flash Point: 145.6oC
• PSA: 63.08000
• Density: 1.497g/cm3
• LogP: 0.75710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.0039551
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

(6-Chloropyrazin-2-yl)aceticacid ^*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)CC(=O)O

Technology Process of 2-(6-Chloropyrazin-2-yl)acetic acid

There total 2 articles about 2-(6-Chloropyrazin-2-yl)acetic acid 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:

2-(6-chloro-pyrazin-2-yl)-malonic acid diethyl ester (930798-26-8) → 2-(6-chloropyrazin-2-yl)acetic acid (930798-25-7)

Guidance literature:

2-(6-chloro-pyrazin-2-yl)-malonic acid diethyl ester; With sodium hydroxide; water; In tetrahydrofuran; at 10 ℃; for 24h; Heating / reflux;

With hydrogenchloride; In water; at 20 - 25 ℃;

Reference yield:

2-(6-chloro-pyrazin-2-yl)-malonic acid, sodium salt → 2-(6-chloropyrazin-2-yl)acetic acid (930798-25-7)

Guidance literature:

With hydrogenchloride; water; at 20 - 25 ℃;

DOI:10.1002/jhet.5570450531

Reference yield: 82.0%

2-(6-chloropyrazin-2-yl)acetic acid (930798-25-7) + aniline (62-53-3) → (6-methyl-pyrazin-2-yl)-phenylamine (1079362-67-6)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 160 ℃; for 20h;

DOI:10.1002/jhet.5570450531

upstream raw materials:

2-(6-chloro-pyrazin-2-yl)-malonic acid diethyl ester

Downstream raw materials:

6-methylpyrazin-2-amine

(4-chloro-phenyl)-(6-methyl-pyrazin-2-yl)-amine

(6-methyl-pyrazin-2-yl)-phenylamine

ethyl-2-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)acetate