2-Ethoxybenzoic acid

Base Information

• Chemical Name: 2-Ethoxybenzoic acid
• CAS No.: 134-11-2
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189900
• European Community (EC) Number: 205-130-3
• NSC Number: 406710
• UNII: 5IN9FDI7TT
• DSSTox Substance ID: DTXSID3059638
• Nikkaji Number: J134.740C
• Wikipedia: 2-Ethoxybenzoic_acid
• Wikidata: Q4596879
• ChEMBL ID: CHEMBL4303266
• Mol file: 134-11-2.mol

Synonyms:Benzoicacid, o-ethoxy- (6CI,7CI,8CI);NSC 406710;o-Ethoxybenzoic acid;

Chemical Property of 2-Ethoxybenzoic acid

Chemical Property:

• Appearance/Colour: Pale yellow low melting solid
• Vapor Pressure: 0.000472mmHg at 25°C
• Melting Point: 19.3-19.5 °C(lit.)
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 301.3 °C at 760 mmHg
• PKA: pK1:4.21 (20°C)
• Flash Point: 117.8 °C
• PSA: 46.53000
• Density: 1.166 g/cm³
• LogP: 1.78350
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: 95% ethanol: soluble5%, clear, colorless to yellow
• Water Solubility.: Soluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

98% Min ^*data from raw suppliers

2-Ethoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36/37/38-26-22
• Safety Statements: 23-24/25-45-36/37-28-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=O)O
• Uses: 2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.

Technology Process of 2-Ethoxybenzoic acid

There total 29 articles about 2-Ethoxybenzoic 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: 80.0%

ethyl 2-ethoxybenzoate (6290-24-0) → 2-ethoxybenzoic acid (134-11-2)

Guidance literature:

ethyl 2-ethoxybenzoate; With potassium tert-butylate; In dimethyl sulfoxide; at 70 ℃; for 2h;

With hydrogenchloride; water; In dimethyl sulfoxide; at 0 - 10 ℃;

Reference yield: 75.0%

2-ethoxybenzamide (938-73-8) → 2-ethoxybenzoic acid (134-11-2)

Guidance literature:

With phthalic anhydride; silica gel; microwave irradiation;

Reference yield: 7.0%

→ 2-ethoxybenzoic acid (134-11-2) + 2,6-diethoxybenzoic acid (82935-36-2)

Guidance literature:

upstream raw materials:

ethyl 2-ethoxybenzoate

2-ethoxybenzonitrile

sodium ethanolate

sodium o-methoxycarbonylphenolate

Downstream raw materials:

2-diazo-1-(2-ethoxyphenyl)propan-1-one

carbon dioxide

Phenetole

5-(2-ethoxybenzamido)-1-n-propylimidazole-4-carboxamide

Refernces

• 1、 Zhang, Lin-Bao,Hao, Xin-Qi,Zhang, Shou-Kun,Liu, Zhan-Jiang,Zheng, Xin-Xiang,Gong, Jun-Fang,Niu, Jun-Long,Song, Mao-Ping. "Cobalt-catalyzed C(sp2)-H alkoxylation of aromatic and olefinic carboxamides". . p. 272 - 275. Retrieved 2015.
• 2、 -. "Process for preparing O-ethoxybenzoic acid chloride (by machine translation)". Page/Page column 5-10. . Retrieved 2020/08/26.
• 3、 Jang, Mi,Park, Bong Ser. "High diastereoselectivity in the yang photocyclization via remote hydrogen abstraction reaction". . p. 1509 - 1514. Retrieved 2016/10/09.