2-Methoxyphenylacetic acid

Base Information

• Chemical Name: 2-Methoxyphenylacetic acid
• CAS No.: 93-25-4
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189090
• European Community (EC) Number: 202-231-4
• NSC Number: 110708,16257
• UNII: DWF2D897KB
• DSSTox Substance ID: DTXSID0059083
• Nikkaji Number: J100.253H
• Wikidata: Q63408954
• Mol file: 93-25-4.mol

Synonyms:2-Methoxyphenylacetic acid;93-25-4;2-(2-methoxyphenyl)acetic acid;Benzeneacetic acid, 2-methoxy-;2-methoxyphenylaceticacid;Acetic acid, (o-methoxyphenyl)-;(o-Methoxyphenyl)acetic acid;2-methoxybenzeneacetic acid;MFCD00004321;(2-Methoxyphenyl)acetic acid;DWF2D897KB;(2-methoxy-phenyl)-acetic acid;EINECS 202-231-4;NSC 110708;NSC-110708;o-METHOXYPHENYLACETIC ACID;2-methoxyphenyleddikesyre;UNII-DWF2D897KB;2-?Methoxyphenylacetic acid;2-methoxy phenylacetic acid;2-methoxy-phenylacetic acid;2-methoxyphenyl acetic acid;2-methoxy-benzeneacetic acid;2-methoxy phenyl acetic acid;SCHEMBL155982;(2-methoxyphenyl)-acetic acid;(S)-2-methoxyphenylacetic acid;DTXSID0059083;2-(2-methoxyphenyl)-acetic acid;[2-(methyloxy)phenyl]acetic acid;2-Methoxyphenylacetic acid, 98%;CS-D0984;NSC16257;NSC-16257;NSC110708;STL168986;AKOS000120534;2-Piperidinepropanoic acid, hydrochloride;AC-23644;SY014484;TS-02230;AM20060755;FT-0612861;M0533;EN300-20940;F11410;A844489;W-100246;Q63408954;F2191-0109;Z104485032

Chemical Property of 2-Methoxyphenylacetic acid

Chemical Property:

• Appearance/Colour: white to slightly pink-cream crystalline powder
• Vapor Pressure: 0.000903mmHg at 25°C
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.5101 (estimate)
• Boiling Point: 291.3 °C at 760 mmHg
• PKA: 4.14±0.10(Predicted)
• Flash Point: 117.1 °C
• PSA: 46.53000
• Density: 1.179 g/cm³
• LogP: 1.32230
• Storage Temp.: Store at RT.
• Solubility.: 9.2g/l
• Water Solubility.: SOLUBLE
• XLogP3: 1.5
• 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%,99%, ^*data from raw suppliers

2-MethoxybenzeneaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: COC1=CC=CC=C1CC(=O)O
• Uses: 2-Methoxyphenylacetic acid is used as pharmaceutical intermediate.

Technology Process of 2-Methoxyphenylacetic acid

There total 56 articles about 2-Methoxyphenylacetic 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: 100.0%

phenacyl 2-methoxyphenylacetate (132589-74-3) → 2-methoxyphenylacetic acid (93-25-4) + acetophenone (98-86-2)

Guidance literature:

With N,N,N',N'-tetramethyl-o-phenylenediamine; In acetonitrile; for 2h; Irradiation;

DOI:10.1021/jo970495j

Reference yield: 99.0%

2-methoxyphenethyl alcohol (7417-18-7) → 2-methoxyphenylacetic acid (93-25-4)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite; In acetonitrile; at 35 ℃; pH 6.7;

DOI:10.1021/jo982143y

Reference yield: 96.0%

((2-methoxyphenyl)acetyl)pyrrolidine (123902-10-3) → 2-methoxyphenylacetic acid (93-25-4)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 71h; Heating;

DOI:10.1016/S0040-4020(02)01324-8

upstream raw materials:

n-heptane

2-methylmethoxybenzene

n-pentylsodium

2-methoxy-benzeneacetonitrile

Downstream raw materials:

3-(2-methoxyphenylmethylene)isobenzofuran-1(3H)-one

ethyl (2-methoxyphenyl)acetate

2-(2-methoxybenzyl)-1H-benzo[d]imidazole

2'-nitro-2-methoxy-trans-stilbene

Refernces

• 1、 -. "Synthetic method of benzofuranone". Paragraph 0057; 0059; 0063. . Retrieved 2020/06/16.
• 2、 Chaudhuri, Amrita,Venkatesh, Yarra,Behara, Krishna Kalyani,Singh, N. D. Pradeep. "Bimane: A Visible Light Induced Fluorescent Photoremovable Protecting Group for the Single and Dual Release of Carboxylic and Amino Acids". supporting information. p. 1598 - 1601. Retrieved 2017/04/13.