Methyl beta,4-dimethoxybenzenepropanoate

Base Information

• Chemical Name: Methyl beta,4-dimethoxybenzenepropanoate
• CAS No.: 69098-08-4
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.257
• European Community (EC) Number: 614-925-8
• DSSTox Substance ID: DTXSID401036400
• Mol file: 69098-08-4.mol

Synonyms:ICCB4_000131;CBiol_000835;SCHEMBL8967598;DTXSID401036400;Methyl beta,4-dimethoxybenzenepropanoate;69098-08-4

Chemical Property of Methyl beta,4-dimethoxybenzenepropanoate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 209

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(CC(=O)OC)OC

Technology Process of Methyl beta,4-dimethoxybenzenepropanoate

There total 6 articles about Methyl beta,4-dimethoxybenzenepropanoate 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: 60.0%

4-Methoxystyrene (637-69-4,24936-44-5) + Methyl formate (107-31-3) → methyl 3-(4-methoxyphenyl)-3-methoxypropanoate (69098-08-4)

Guidance literature:

With tert-butyl peroxyacetate; 2,6-dichloro-N-((2Z,4E)-4-((2,6-dichlorophenyl)imino)pent-2-en-2-yl)aniline; copper(II) bis(trifluoromethanesulfonate); at 65 ℃; for 1h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201904263

Reference yield: 42.0%

Ketene (463-51-4) + p-Anisaldehyde dimethyl acetal (2186-92-7) → methyl 3-(4-methoxyphenyl)-3-methoxypropanoate (69098-08-4)

Guidance literature:

With zinc(II) chloride; In diethyl ether;

Reference yield:

methanol (67-56-1) + 4-Methoxystyrene (637-69-4,24936-44-5) + carbon monoxide (201230-82-2) → 3-(4-methoxy-phenyl)acrylic acid methyl ester (3901-07-3) + 2-(4-methoxy-phenyl)-succinic acid dimethyl ester (22248-26-6) + methyl 3-(4-methoxyphenyl)-3-methoxypropanoate (69098-08-4)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; tetrakis(acetonitrile)copper(I)tetrafluoroborate; tin(II) chloride dihdyrate; oxygen; palladium dichloride; In tetrahydrofuran; at 50 ℃; for 62h; under 760.051 Torr;

DOI:10.1246/cl.160804

upstream raw materials:

Ketene

p-Anisaldehyde dimethyl acetal

methanol

carbon monoxide

Downstream raw materials:

3-(4-methoxy-phenyl)acrylic acid methyl ester

2-ethylhexyl methoxycinnamate