4-Methoxymandelic acid

Base Information

• Chemical Name: 4-Methoxymandelic acid
• CAS No.: 10502-44-0
• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.176
• Hs Code.: 29163100
• European Community (EC) Number: 234-031-8
• DSSTox Substance ID: DTXSID30909299
• Nikkaji Number: J101.965A
• ChEMBL ID: CHEMBL58565
• Mol file: 10502-44-0.mol

Synonyms:4-methoxymandelic acid;4-methoxymandelic acid, (R)(-)-isomer

Chemical Property of 4-Methoxymandelic acid

Chemical Property:

• Appearance/Colour: light yellow powder
• Vapor Pressure: 3.86E-06mmHg at 25°C
• Melting Point: 108-111 °C
• Refractive Index: 1.569
• Boiling Point: 370.4 °C at 760 mmHg
• PKA: 3.43±0.10(Predicted)
• Flash Point: 152.6 °C
• PSA: 66.76000
• Density: 1.309 g/cm³
• LogP: 0.81320
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxymandelic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Methoxymandelic acid

There total 2 articles about 4-Methoxymandelic 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: 69.0%

vinyl acetate (108-05-4,9003-20-7) + 4-Methoxymandelic acid (20714-90-3) → (+)-p-methoxy-O-acetylmandelic acid (33173-35-2) + (-)-p-methoxymandelic acid (10502-44-0,20714-89-0,20714-90-3,75172-66-6)

Guidance literature:

In acetone; toluene; at 37 ℃; for 24h; Pseudomonas sp. lipase;

DOI:10.1002/prac.19923340614

Reference yield:

4-Methoxymandelic acid (20714-90-3) → (-)-p-methoxymandelic acid (10502-44-0,20714-89-0,20714-90-3,75172-66-6)

Guidance literature:

DOI:10.1002/prac.19923340614

upstream raw materials:

vinyl acetate

4-Methoxymandelic acid

Refernces