Methyl 2-(3,4-dimethoxyphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3,4-dimethoxyphenyl)acetate
• CAS No.: 15964-79-1
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• European Community (EC) Number: 240-100-3
• DSSTox Substance ID: DTXSID5065982
• Nikkaji Number: J47.238G
• Wikidata: Q63392629
• ChEMBL ID: CHEMBL3289680
• Mol file: 15964-79-1.mol

Synonyms:methyl 2-(3,4-dimethoxyphenyl)acetate;15964-79-1;METHYL HOMOVERATRATE;Benzeneacetic acid, 3,4-dimethoxy-, methyl ester;Methyl 3,4-dimethoxyphenylacetate;Homoveratric acid, methyl ester;Methyl (3,4-dimethoxyphenyl)acetate;3,4-DIMETHOXYPHENYLACETIC ACID METHYL ESTER;Acetic acid, (3,4-dimethoxyphenyl)-, methyl ester;EINECS 240-100-3;MFCD00017206;METHYL 3,4-DIMETHOXYPHENYL ACETATE;AI3-10503;Hexylbutyrate;Homoveratric acid methyl;SCHEMBL198282;CHEMBL3289680;DTXSID5065982;AMY14528;SC5022;STL506904;Homovanillic acid di-methyl derivative;AKOS000295892;CS-W022779;DS-1841;HY-W042039;MB00268;methyl 2-(3,4-dimethoxy-phenyl)acetate;SY043034;TS-00425;3,4-dimethoxyphenyl acetic acid methyl ester;FT-0724278;(3,4-dimethoxyphenyl)acetic acid methyl ester;EN300-129751;Methyl ester of 3,4-Dimethoxyphenylacetic acid;Phenylacetic acid, 3,4-dimethoxy, methyl ester;(3,4-dimethoxy-phenyl)-acetic acid methyl ester;3,4-DIMETHOXYBENZENEACETIC ACID METHYL ESTER;J-009622;Q63392629;Z18487615

Chemical Property of Methyl 2-(3,4-dimethoxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 0.00281mmHg at 25°C
• Refractive Index: 1.5253 (23℃)
• Boiling Point: 285.4 °C at 760 mmHg
• Flash Point: 121.6 °C
• PSA: 44.76000
• Density: 1.105 g/cm³
• LogP: 1.41930
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

MethylHomoveratrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(=O)OC)OC
• Uses: Methyl Homoveratrate can be used as entry inhibitors against H5N1.

Technology Process of Methyl 2-(3,4-dimethoxyphenyl)acetate

There total 16 articles about Methyl 2-(3,4-dimethoxyphenyl)acetate 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%

methanol (67-56-1) + (3,4-Dimethoxyphenyl)acetic acid (93-40-3) → methyl (3,4-dimethoxyphenyl)acetate (15964-79-1)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1016/S0960-894X(98)00689-1

Reference yield: 100.0%

(3,4-Dimethoxyphenyl)acetic acid (93-40-3) + methyl iodide (74-88-4) → methyl (3,4-dimethoxyphenyl)acetate (15964-79-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃;

DOI:10.1002/chem.201905812

Reference yield: 92.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (3,4-Dimethoxyphenyl)acetic acid (93-40-3) → methyl (3,4-dimethoxyphenyl)acetate (15964-79-1)

Guidance literature:

In diethyl ether;

DOI:10.1039/b822944a

upstream raw materials:

methanol

(3,4-Dimethoxyphenyl)acetic acid

3,4-dimethoxyphenylpyruvic acid

2-(3,4-dihydroxyphenyl)acetic acid methyl ester

Downstream raw materials:

(3,4-dimethoxy-phenyl)-malonic acid dimethyl ester

Methyl 2-benzoyl-4,5-dimethoxyphenylacetate

2-(3,4-Dimethoxyphenyl)-3-methyl-buttersaeuremethylester

1-formyl-4,5-dimethoxyphenylacetic acid methyl ester

Refernces

• 1、 -. "DOPAMINE RECEPTOR D1 AGONISTS AND METHODS OF USE". Paragraph 00212. . Retrieved 2021/02/05.
• 2、 Bower, John F.,Caiger, Lewis,García-Cárceles, Javier,Hazelden, Ian R.,Jones, Benjamin T.,Langer, Thomas,Lewis, Richard J.. "Complex Polyheterocycles and the Stereochemical Reassignment of Pileamartine A via Aza-Heck Triggered Aryl C-H Functionalization Cascades". supporting information. p. 15593 - 15598. Retrieved 2021/10/12.