2-(2-Ethoxyphenyl)acetic acid

Base Information

• Chemical Name: 2-(2-Ethoxyphenyl)acetic acid
• CAS No.: 70289-12-2
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 674-196-7
• NSC Number: 165611
• DSSTox Substance ID: DTXSID80220527
• Wikidata: Q83097785
• Mol file: 70289-12-2.mol

Synonyms:2-(2-ethoxyphenyl)acetic acid;70289-12-2;2-Ethoxyphenylacetic acid;Acetic acid, o-ethoxyphenyl-;Benzeneacetic acid,2-ethoxy-;o-ETHOXY PHENYL ACETIC ACID;NSC165611;benzeneacetic acid, 2-ethoxy-;Acetic acid, o-ethoxyphenyl-,;(2-Ethoxy-phenyl)-acetic acid;SCHEMBL1628791;DTXSID80220527;MFCD00016824;2-ethoxyphenylacetic acid, AldrichCPR;AKOS000296246;NSC 165611;NSC-165611;AS-59860;BB 0249007;E1234;FT-0641284

Chemical Property of 2-(2-Ethoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0.00037mmHg at 25°C
• Melting Point: 103-104 °C
• Refractive Index: 1.53
• Boiling Point: 305 °C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 119.3 °C
• PSA: 46.53000
• Density: 1.144 g/cm³
• LogP: 1.71240
• Solubility.: soluble in Methanol
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Ethoxyphenylacetic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1CC(=O)O
• Uses: 2-Ethoxyphenylacetic Acid is a versatile reactant used in various chemical syntheses that yield enzyme inhibitors. 2-Ethoxyphenylacetic Acid is used as a reactant in engineered myoglobins in which hemin iron is replaced by various abiological noble metals produce novel metalloenzymes that catalyze carbene insertion into C-H bonds as well as carbene addition to vinylarenes and aliph. α-olefins.

Technology Process of 2-(2-Ethoxyphenyl)acetic acid

There total 9 articles about 2-(2-Ethoxyphenyl)acetic 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: 85.0%

ethyl iodide (75-03-6) + 2-Hydroxyphenylacetic acid (614-75-5) → 2-(2-ethoxyphenyl)acetic acid (70289-12-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 4h; Sealed tube;

DOI:10.1039/d0nj01236j

Reference yield: 83.0%

ethyl 2-(2-ethoxyphenyl)acetate (1189772-73-3) → 2-(2-ethoxyphenyl)acetic acid (70289-12-2)

Guidance literature:

ethyl 2-(2-ethoxyphenyl)acetate; With sodium hydroxide; In ethanol; at 96 ℃; for 12h;

With hydrogenchloride; In water;

DOI:10.1021/jm501123r

Reference yield:

→ 2-(2-ethoxyphenyl)acetic acid (70289-12-2) + 2-Hydroxyphenylacetic acid (614-75-5)

Guidance literature:

With potassium carbonate; at 190 - 200 ℃;

upstream raw materials:

2-ethoxy benzylcyanide

2-Hydroxyphenylacetic acid

sodium ethanolate

salicylic alcohol

Downstream raw materials:

2-(2-ethoxyphenyl)acetyl chloride

methyl 2-(ethoxyphenyl)acetate

5-(2-ethoxy)-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one

2-[2-(ethyloxy)phenyl]quinazoline-4(3H)-one