3,5-Dimethoxyphenylacetic acid

Base Information

• Chemical Name: 3,5-Dimethoxyphenylacetic acid
• CAS No.: 4670-10-4
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• Hs Code.: 29189900
• European Community (EC) Number: 923-817-2,625-977-6
• DSSTox Substance ID: DTXSID60196918
• Nikkaji Number: J2.372.549E
• Wikidata: Q72467616
• Mol file: 4670-10-4.mol

Synonyms:3,5-Dimethoxyphenylacetic acid;4670-10-4;2-(3,5-dimethoxyphenyl)acetic acid;(3,5-dimethoxyphenyl)acetic acid;benzeneacetic acid, 3,5-dimethoxy-;MFCD00016827;SCHEMBL347352;3,5-dimethoxybenzeneacetic acid;3,5-dimethoxy-phenylacetic acid;3,5-dimethoxyphenyl acetic acid;DTXSID60196918;(3,5-dimethoxy)phenylacetic acid;3,5-Dimethoxy phenyl acetic acid;CHEBI:193990;2-(3,5-dimethoxyphenyl)aceticacid;(3,5-Dimethoxy-phenyl)acetic acid;BCP15337;BBL101976;STL555773;AKOS006222730;AB01216;AM83178;CS-W002109;(3,5-Dimethoxyphenyl)acetic acid, 98%;AS-15610;SY016141;D2950;FT-0604686;EN300-741804;A924246

Chemical Property of 3,5-Dimethoxyphenylacetic acid

Chemical Property:

• Appearance/Colour: brown powder
• Vapor Pressure: 1.4E-05mmHg at 25°C
• Melting Point: 102-103 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 352.6 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 140.1 °C
• PSA: 55.76000
• Density: 1.189 g/cm³
• LogP: 1.33090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethoxyphenylacetic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1)CC(=O)O)OC
• Uses: 3,5-Dimethoxyphenylacetic Acid is a general reactant/reagent used in the synthesis of a recyclable, immobilized analogue of Benzotetramisole.

Technology Process of 3,5-Dimethoxyphenylacetic acid

There total 29 articles about 3,5-Dimethoxyphenylacetic 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%

tert-butyl 2-(3,5-dimethoxyphenyl)acetate (1141493-97-1) → (3,5-dimethoxyphenyl)acetic acid (4670-10-4)

Guidance literature:

With triethylsilane; trifluoroacetic acid; In dichloromethane; at 0 ℃; for 3h;

Reference yield: 99.0%

carbon dioxide (124-38-9,18923-20-1) + 3,5-dimethoxybenzyl phenyl sulfone → (3,5-dimethoxyphenyl)acetic acid (4670-10-4)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 30 ℃; for 6h; Electrolysis;

DOI:10.1021/acs.joc.1c01261

Reference yield: 94.0%

methyl 2-(3,5-dimethoxyphenyl)acetate (6512-32-9) → (3,5-dimethoxyphenyl)acetic acid (4670-10-4)

Guidance literature:

With potassium hydroxide; for 0.5h; Heating;

DOI:10.1021/jo070159v

upstream raw materials:

3,5-dimethoxyphenylacetonitrile

2-diazo-1-(3,5-dimethoxyphenyl)ethanone

(3,5-dimethoxy-phenyl)-acetic acid ethyl ester

2-(3,5-dihydroxyphenyl)acetic acid

Downstream raw materials:

(3,5-dimethoxyphenyl)acetone

3,5-dimethoxyphenethyl alcohol

N-(2-(3,4-dimethoxyphenyl)ethyl)-2-(3,5-dimethoxyphenyl)acetamide

7-(3.5-Dimethoxy-phenylacetoxy)-octansaeure-benzylester

Refernces

• 1、 Zhong, Jun-Song,Yang, Zi-Xin,Ding, Cheng-Lin,Huang, Ya-Feng,Zhao, Yi,Yan, Hong,Ye, Ke-Yin. "Desulfonylative Electrocarboxylation with Carbon Dioxide". supporting information. p. 16162 - 16170. Retrieved 2021/09/02.
• 2、 Limaye, Rohan A.,Joseph, Augustine R.,Natu, Arun D.,Paradkar, Madhusudan V.. "Convenient syntheses of 3-aryl-3,4-dihydroisocoumarins". . p. 191 - 194. Retrieved 2015/06/02.