2-Ethyl-3-methoxybenzoic acid

Base Information

• Chemical Name: 2-Ethyl-3-methoxybenzoic acid
• CAS No.: 57598-51-3
• Molecular Formula: C10H12O3
• Molecular Weight: 180.20
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80482244
• Wikidata: Q72475696
• Mol file: 57598-51-3.mol

Synonyms:2-ETHYL-3-METHOXYBENZOIC ACID;57598-51-3;MFCD11100772;2-Ethyl-3-methoxybenzoicacid;Benzoic acid, 2-ethyl-3-methoxy-;2-Ethyl-3-methoxybenzoic?acid;SCHEMBL1987451;DTXSID80482244;RXCOEMMGBRUEEG-UHFFFAOYSA-N;RB3020;AKOS006309782;AM85829;DS-1569;FS-3364;SY023075;A8211;CS-0152550;FT-0660365;EN300-125182;Q-101250

Chemical Property of 2-Ethyl-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0.000837mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 292.5 °C at 760 mmHg
• PKA: 3.67±0.10(Predicted)
• Flash Point: 113.3 °C
• PSA: 46.53000
• Density: 1.134 g/cm³
• LogP: 1.95580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

2-Ethyl-3-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=CC=C1OC)C(=O)O

Technology Process of 2-Ethyl-3-methoxybenzoic acid

There total 5 articles about 2-Ethyl-3-methoxybenzoic 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-(3-methoxyphenyl)-5,5-dimethyloxazoline (180341-35-9) + ethyl iodide (75-03-6) → 2-Ethyl-3-Methoxybenzoic Acid (57598-51-3)

Guidance literature:

With hydrogenchloride; n-butyllithium; ammonium chloride; In tetrahydrofuran; methanol; aq. sodium hydroxide; dichloromethane; water;

Reference yield:

2,3-dimethoxybenzonitrile (5653-62-3) → 2-Ethyl-3-Methoxybenzoic Acid (57598-51-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / anschliessend Behandeln mit wss. Salzsaeure

2: aqueous sulfuric acid

With diethyl ether; sulfuric acid;

DOI:10.1038/sj.bjp.0703308

Reference yield:

2-ethyl-3-methoxy-benzonitrile (102236-67-9) → 2-Ethyl-3-Methoxybenzoic Acid (57598-51-3) + 2-ethyl-3-methoxy-benzoic acid amide (135329-23-6)

Guidance literature:

With sulfuric acid;

DOI:10.1038/sj.bjp.0703308

upstream raw materials:

2-ethyl-3-methoxy-benzonitrile

4,5-dihydro-2-(2',3'-dimethoxyphenyl)-4,4-dimethyloxazole

ethyllithium

2,3-dimethoxybenzonitrile

Downstream raw materials:

2-Ethyl-3-hydroxybenzoic Acid

2'-ethyl-4,3'-dimethoxy-deoxybenzoin

2-ethyl-3,4'-dimethoxy-benzophenone

(2-ethyl-3-methoxy-phenyl)-acetic acid

Refernces