Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate

Base Information

• Chemical Name: Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate
• CAS No.: 70311-74-9
• Molecular Formula: C14H16O7
• Molecular Weight: 296.277
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID60378075
• Wikidata: Q82167538
• Mol file: 70311-74-9.mol

Synonyms:70311-74-9;Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate;2,4-Dioxo-4-(3,4,5-trimethoxy-phenyl)-butyric acid methyl ester;2,4-Dioxo-4-(3,4,5-trimethoxy-phenyl)butyric acid methyl ester;MFCD06245446;SCHEMBL11248607;DTXSID60378075;AKOS005257465;FT-0641288;A836842;2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butyric acid methyl ester;2,4-dioxo-4-(3,4,5-trimethoxyphenyl)-butyric acid methyl ester

Chemical Property of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate

Chemical Property:

• Vapor Pressure: 1.16E-07mmHg at 25°C
• Boiling Point: 431.9°C at 760 mmHg
• Flash Point: 191.8°C
• PSA: 88.13000
• Density: 1.218g/cm³
• LogP: 1.02730
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 296.08960285
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

98% ^*data from raw suppliers

2,4-DIOXO-4-(3,4,5-TRIMETHOXY-PHENYL)-BUTYRIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)C(=O)OC

Technology Process of Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate

There total 1 articles about Methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate 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: 90.0%

Dimethyl oxalate (553-90-2) + methyl (3,4,5-trimethoxyphenyl) ketone (1136-86-3) → methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate (70311-74-9)

Guidance literature:

With sodium methylate; Inert atmosphere;

DOI:10.1016/j.bmcl.2016.02.072

Reference yield: 78.0%

3(5)-phenylpyrazol-5(3)-amine (1572-10-7) + methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate (70311-74-9) → methyl 2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate (1397213-81-8)

Guidance literature:

In ethanol;

DOI:10.1016/j.bmcl.2016.02.072

Reference yield:

methyl 2,4-dioxo-4-(3,4,5-trimethoxyphenyl)butanoate (70311-74-9) → 6-amino-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo<3,4-d>pyrimidin-4(5H)-one (80082-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 percent / methanol / 41.5 h / Heating

2: 40 percent / 1 N HCl / 3 h / Heating

With hydrogenchloride; In methanol;

DOI:10.1021/jo00343a013

upstream raw materials:

Dimethyl oxalate

methyl (3,4,5-trimethoxyphenyl) ketone

Downstream raw materials:

7-amino-1-methyl-4-(3,4,5-trimethoxyphenacyl)pyrimido<4,5-c>pyridazine-3,5(1H,2H)-dione

7-amino-3-(3,4,5-trimethoxyphenacyl)-1-methylpyrimido<4,5-c>pyridazine-4,5(1H,6H)-dione

8-amino-3-(carbomethoxy)-1-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrimido<4,5-c>-1,2-diazepin-6(7H)-one

6-amino-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazolo<3,4-d>pyrimidin-4(5H)-one