Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester

Base Information

• Chemical Name: Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester
• CAS No.: 39998-21-5
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.1891
• NSC Number: 324620
• Nikkaji Number: J116.979C
• Mol file: 39998-21-5.mol

Synonyms:39998-21-5;Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester;[1-methylpyridin-2(1h)-ylidene]acetic acid methyl ester;NSC324620;SCHEMBL10105320;BRIRBMVQJSWOKR-BQYQJAHWSA-N;NSC 324620;NSC-324620;Methyl (2E)-(1-methyl-2(1H)-pyridinylidene)ethanoate;Methyl (2E)-(1-methyl-2(1H)-pyridinylidene)ethanoate #

Chemical Property of Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester

Chemical Property:

• Vapor Pressure: 0.0143mmHg at 25°C
• Boiling Point: 257.7°Cat760mmHg
• Flash Point: 106.4°C
• PSA: 31.23000
• Density: 1.169g/cm³
• LogP: 0.25970
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=CC1=CC(=O)OC
• Isomeric SMILES: CN\1C=CC=C/C1=C\C(=O)OC

Technology Process of Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester

There total 6 articles about Acetic acid, (1-methyl-2(1H)-pyridinylidene)-, methyl ester 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:

methyl 2-pyridylacetate (1658-42-0) + methyl iodide (74-88-4) → (1-methyl-1H-pyridin-2-ylidene)-acetic acid methyl ester (39998-21-5)

Guidance literature:

With methanol; Behandeln des Reaktionsprodukts mit wss. KOH;

Reference yield:

1-phenyl-2-[2]pyridyl-ethanone-(E)-oxime (61890-12-8) → (1-methyl-1H-pyridin-2-ylidene)-acetic acid methyl ester (39998-21-5)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride; CHCl₃

2: HCl / Durchleiten von HCl

3: methanol / Behandeln des Reaktionsprodukts mit wss. KOH

With hydrogenchloride; methanol; thionyl chloride; chloroform;

Reference yield:

1-phenyl-2-pyridin-2-ylethanone (1620-53-7) → (1-methyl-1H-pyridin-2-ylidene)-acetic acid methyl ester (39998-21-5)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium acetate; ethanol; water; hydroxylamine hydrochloride

2: thionyl chloride; CHCl₃

3: HCl / Durchleiten von HCl

4: methanol / Behandeln des Reaktionsprodukts mit wss. KOH

With hydrogenchloride; methanol; thionyl chloride; ethanol; chloroform; hydroxylamine hydrochloride; water; sodium acetate;

upstream raw materials:

methyl 2-pyridylacetate

methyl iodide

1-phenyl-2-[2]pyridyl-ethanone-(E)-oxime

1-phenyl-2-pyridin-2-ylethanone

Downstream raw materials:

2-(5-acetyl-2-oxo-4-phenyl-2,3-dihydro-furan-3-yl)-1-methyl-pyridinium betaine