4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Base Information

• Chemical Name: 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid
• CAS No.: 84386-08-3
• Molecular Formula: C13H16O7
• Molecular Weight: 284.2619
• DSSTox Substance ID: DTXSID001004661

Synonyms:4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid;alpha-Hydroxy-gamma-oxo-2,4,5-trimethoxybenzenebutanoic acid;Benzenebutanoic acid, alpha-hydroxy-gamma-oxo-2,4,5-trimethoxy-;84386-08-3;SCHEMBL11106162;2-hydroxy-4-oxo-4-(2,4,5-trimethoxyphenyl)butanoic acid;DTXSID001004661;LS-29348

Chemical Property of 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

Chemical Property:

• Vapor Pressure: 2.53E-12mmHg at 25°C
• Boiling Point: 536.1°C at 760 mmHg
• Flash Point: 204.4°C
• Density: 1.301g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 284.08960285
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C(=O)CC(C(=O)O)O)OC)OC

Technology Process of 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic acid

There total 2 articles about 4-(2,4,5-Trimethoxyphenyl)-4-oxo-2-hydroxybutanoic 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: 67.0%

2,2-dihydroxyacetic acid (563-96-2) + 2',4',5'-trimethoxyacetophenone (1818-28-6) → 4-(2,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid (84386-08-3)

Guidance literature:

at 95 ℃; for 3h; under 50 Torr;

DOI:10.1016/0223-5234(88)90166-3

Reference yield:

→ 4-(2,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid (84386-08-3)

Guidance literature:

Reference yield: 62.0%

4-(2,4,5-trimethoxyphenyl)-4-oxo-2-hydroxy butanoic acid (84386-08-3) → (E)-4-(2,4,5-trimethoxy phenyl)-4-oxo-2-butenoic acid (84386-10-7)

Guidance literature:

With hydrogenchloride; In acetic acid; for 1.5h; Heating;

DOI:10.1016/0223-5234(88)90166-3

upstream raw materials:

2,2-dihydroxyacetic acid

2',4',5'-trimethoxyacetophenone

Downstream raw materials:

(E)-4-(2,4,5-trimethoxy phenyl)-4-oxo-2-butenoic acid

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