5-(2,3,4-Trimethoxyphenyl)-5-oxovaleric acid

Base Information

• Chemical Name: 5-(2,3,4-Trimethoxyphenyl)-5-oxovaleric acid
• CAS No.: 16093-16-6
• Molecular Formula: C14H18O6
• Molecular Weight: 282.293
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60598251
• Wikidata: Q82493986
• Mol file: 16093-16-6.mol

Synonyms:16093-16-6;5-(2,3,4-TRIMETHOXYPHENYL)-5-OXOVALERIC ACID;5-oxo-5-(2,3,4-trimethoxyphenyl)pentanoic acid;MFCD09801785;SCHEMBL4128743;DTXSID60598251;DAZAPSUEQMAVOL-UHFFFAOYSA-N;AKOS009604736;5-Oxo-5-(2,3,4-trimethoxy-phenyl)-pentanoic acid;Benzenepentanoic acid, 2,3,4-trimethoxy-delta-oxo-;5-(2,3,4-TRIMETHOXYPHENYL)-5-OXOVALERICACID

Chemical Property of 5-(2,3,4-Trimethoxyphenyl)-5-oxovaleric acid

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Boiling Point: 470.5°C at 760 mmHg
• Flash Point: 175°C
• PSA: 82.06000
• Density: 1.19g/cm³
• LogP: 2.15000
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 282.11033829
• Heavy Atom Count: 20
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

5-(2,3,4-trimethoxyphenyl)-5-oxovalericacid 97% ^*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)C(=O)CCCC(=O)O)OC)OC

Technology Process of 5-(2,3,4-Trimethoxyphenyl)-5-oxovaleric acid

There total 4 articles about 5-(2,3,4-Trimethoxyphenyl)-5-oxovaleric 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%

5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid methyl ester (412012-34-1) → 5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid (16093-16-6)

Guidance literature:

5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid methyl ester; With methanol; sodium hydroxide; water; at 20 ℃; for 0.5h; Heating / reflux;

With hydrogenchloride; water;

Reference yield: 22.0%

glutaric anhydride, (108-55-4) + 1,2,3-trimethoxybenzene (634-36-6) → 5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid (16093-16-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 20 ℃;

DOI:10.1016/j.bmc.2006.09.034

Reference yield:

glutaric anhydride, (108-55-4) + 1,2,3-trimethoxybenzene (634-36-6) → 5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid (16093-16-6) + 5-(2-hydroxy-3,4-dimethoxy-phenyl)-5-oxo-valeric acid

Guidance literature:

With aluminium trichloride; nitrobenzene;

DOI:10.1039/jr9480001045

upstream raw materials:

ethyl glutaroyl chloride

1,2,3-trimethoxybenzene

glutaric anhydride,

5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid methyl ester

Downstream raw materials:

5-(3,4-dimethoxy-2-hydoxyphenyl)valeric acid

5-(2',3',4'-trimethoxyphenyl)pentanoic acid

5-(2,3,4-trimethoxy-phenyl)-5-oxo-pentanoic acid methyl ester