Ethyl 3-hydroxy-4-methoxy-mandelate

Base Information

• Chemical Name: Ethyl 3-hydroxy-4-methoxy-mandelate
• CAS No.: 91971-78-7
• Molecular Formula: C11H14O5
• Molecular Weight: 226.229
• European Community (EC) Number: 626-404-2
• DSSTox Substance ID: DTXSID20502894
• Mol file: 91971-78-7.mol

Synonyms:Ethyl 3-hydroxy-4-methoxy-mandelate;91971-78-7;ethyl 2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetate;3-Hydroxy-4-methoxy-mandelic Acid Ethyl Ester;DTXSID20502894;AKOS011496537;FT-0669814;Ethyl hydroxy(3-hydroxy-4-methoxyphenyl)acetate;Ethyl 3-hydroxy-4-methoxy-mandelate, >=99.0%

Chemical Property of Ethyl 3-hydroxy-4-methoxy-mandelate

Chemical Property:

• Vapor Pressure: 7.63E-07mmHg at 25°C
• Melting Point: 124-130 °C
• Boiling Point: 391.9°C at 760 mmHg
• Flash Point: 152.2°C
• PSA: 75.99000
• Density: 1.26g/cm³
• LogP: 0.99730
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 226.08412354
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Hydroxy-4-methoxy-mandelic Acid Ethyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C1=CC(=C(C=C1)OC)O)O
• Uses: Amebicide.

Technology Process of Ethyl 3-hydroxy-4-methoxy-mandelate

There total 1 articles about Ethyl 3-hydroxy-4-methoxy-mandelate 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:

ethanol (64-17-5) → ethyl 3-hydroxy-4-methoxymandelate (91971-78-7)

Guidance literature:

With hydrogenchloride; diethyl ether; Behandeln des Reaktionsprodukts mit CaCO₃ und H₂O;

Reference yield: 96.0%

ethyl 3-hydroxy-4-methoxymandelate (91971-78-7) + benzyl bromide (100-39-0) → ethyl 3-benzyloxy-4-methoxymandelate

Guidance literature:

ethyl 3-hydroxy-4-methoxymandelate; With potassium carbonate; In acetone; for 0.0833333h; Inert atmosphere;

benzyl bromide; In acetone; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2017.01.050

Reference yield:

ethyl 3-hydroxy-4-methoxymandelate (91971-78-7) → 1-(3-benzyloxy-4-methoxyphenyl)ethane-1,2-diol (213466-80-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 0.08 h / Inert atmosphere

1.2: Reflux; Inert atmosphere

2.1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 2 h / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; diethyl ether; acetone;

DOI:10.1016/j.bmc.2017.01.050

upstream raw materials:

ethanol

Downstream raw materials:

1-(3-benzyloxy-4-methoxyphenyl)ethane-1,2-diol

1-(3-hydroxy-4-methoxyphenyl)ethane-1,2-diol

1-(3-hydroxy-4-methoxyphenyl)-2-hydroxyethanone