5-(3-Methoxyphenyl)nicotinic acid

Base Information

• Chemical Name: 5-(3-Methoxyphenyl)nicotinic acid
• CAS No.: 97000-30-1
• Molecular Formula: C13H11NO3
• Molecular Weight: 229.235
• Hs Code.: 2933399090
• European Community (EC) Number: 809-581-2
• DSSTox Substance ID: DTXSID00602381
• Wikidata: Q82499412
• Mol file: 97000-30-1.mol

Synonyms:5-(3-Methoxyphenyl)nicotinic acid;97000-30-1;5-(3-methoxyphenyl)pyridine-3-carboxylic acid;MFCD06410273;5-(3-methoxyphenyl)-3-pyridinecarboxylic acid;SCHEMBL15275756;5-(3-Methoxyphenyl)nicotinicacid;DTXSID00602381;XDA00030;AC7679;AKOS004117426;AB24273;LS-12291;SY015590;DB-024094;CS-0206981;A845671;J-516179

Chemical Property of 5-(3-Methoxyphenyl)nicotinic acid

Chemical Property:

• PSA: 59.42000
• LogP: 2.45540
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

5-(3-Methoxyphenyl)nicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=CC(=CN=C2)C(=O)O

Technology Process of 5-(3-Methoxyphenyl)nicotinic acid

There total 7 articles about 5-(3-Methoxyphenyl)nicotinic 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:

3-<(benzyloxy)methyl>-5-(3-methoxyphenyl)pyridine (97000-23-2) → 5-(3-methoxyphenyl)nicotinic acid (97000-30-1) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With potassium permanganate; In water; for 1h; Title compound not separated from byproducts; Heating;

DOI:10.1021/jm00147a046

Reference yield:

3-<(benzyloxy)methyl>-5-bromopyridine (97000-22-1) → 5-(3-methoxyphenyl)nicotinic acid (97000-30-1) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1.5 h / Heating

2: potassium permanganate / water / 1 h / Heating

With potassium permanganate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water;

DOI:10.1021/jm00147a046

Reference yield:

(5-bromopyridin-3-yl)methanol (37669-64-0) → 5-(3-methoxyphenyl)nicotinic acid (97000-30-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride / 1.) RT, 2.) 25 deg C, 1 h

2: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran / 1.5 h / Heating

3: potassium permanganate / water / 1 h / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; potassium permanganate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydride; In tetrahydrofuran; water;

DOI:10.1021/jm00147a046

upstream raw materials:

3-<(benzyloxy)methyl>-5-(3-methoxyphenyl)pyridine

(5-bromopyridin-3-yl)methanol

(3-methoxyphenyl)magnesium bromide

pyridine-3-carbonyl chloride hydrochloride

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