(2E)-3-pyrazin-2-ylacrylic acid

Base Information

• Chemical Name: (2E)-3-pyrazin-2-ylacrylic acid
• CAS No.: 123530-66-5
• Molecular Formula: C₇H₆N₂O₂
• Molecular Weight: 150.137
• NSC Number: 202634
• DSSTox Substance ID: DTXSID90419465
• Nikkaji Number: J265.049E
• Wikidata: Q82230469
• Mol file: 123530-66-5.mol

Synonyms:123530-66-5;(e)-3-(pyrazin-2-yl)acrylic acid;(2E)-3-pyrazin-2-ylacrylic acid;3-(pyrazin-2-yl)acrylic acid;6705-27-7;(E)-3-pyrazin-2-ylprop-2-enoic acid;(2E)-3-(pyrazin-2-yl)prop-2-enoic acid;3-(Pyrazin-2-yl)prop-2-enoic acid;NSC202634;2-Propenoic acid, 3-pyrazinyl-, (E)- (9CI);3-(pyrazin-2-yl)acrylicacid;3-(2-Pyrazinyl)propenoic acid;DTXSID90419465;MFCD12197060;AKOS009861348;AKOS023502373;NSC-202634;AS-65446;CS-0109600;EN300-44048;W18616;EN300-1457076;Z445220894

Chemical Property of (2E)-3-pyrazin-2-ylacrylic acid

Chemical Property:

• Boiling Point: 307.9±27.0 °C(Predicted)
• PKA: 3.08±0.10(Predicted)
• Density: 1.346±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 150.042927438
• Heavy Atom Count: 11
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

(2E)-3-Pyrazin-2-ylacrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=C(C=N1)C=CC(=O)O
• Isomeric SMILES: C1=CN=C(C=N1)/C=C/C(=O)O

Technology Process of (2E)-3-pyrazin-2-ylacrylic acid

There total 5 articles about (2E)-3-pyrazin-2-ylacrylic 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:

C9H10N2O2 → (E)-3-(pyrazin-2-yl)acrylic acid (123530-66-5)

Guidance literature:

With water; In tetrahydrofuran; at 20 ℃; Alkaline conditions;

DOI:10.1016/j.ejmech.2017.06.046

Reference yield:

1,1,1-trichloro-3-pyrazinyl-propan-2-ol (62124-85-0) → (E)-3-(pyrazin-2-yl)acrylic acid (123530-66-5)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01164a061

Reference yield:

2-Methylpyrazine (109-08-0) → (E)-3-(pyrazin-2-yl)acrylic acid (123530-66-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aq.-ethanolic NaOH

With pyridine; sodium hydroxide;

DOI:10.1021/ja01164a061

upstream raw materials:

1,1,1-trichloro-3-pyrazinyl-propan-2-ol

2-Methylpyrazine

5-methyl-pyrazine-2,3-dicarboxylic acid

pyrazinecarboxaldehyde

Downstream raw materials:

(E)-N-<4-(4-diphenylmethylene-1-piperidinyl)butyl>-3-(2-pyrazinyl)acrylamide

(E)-N-<4-(4-diphenylmethyl-1-piperazinyl)butyl>-3-(2-pyrazinyl)acrylamide