2-Hydroxy-2-(3-methoxyphenyl)acetic acid

Base Information

• Chemical Name: 2-Hydroxy-2-(3-methoxyphenyl)acetic acid
• CAS No.: 21150-12-9
• Molecular Formula: C₉H₁₀O₄
• Molecular Weight: 182.176
• Hs Code.: 2918990090
• European Community (EC) Number: 244-243-2
• DSSTox Substance ID: DTXSID90943472
• Nikkaji Number: J128.138K
• Mol file: 21150-12-9.mol

Synonyms:21150-12-9;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3-Methoxymandelic acid;Hydroxy(3-methoxyphenyl)acetic acid;dl-3-Methoxymandelic acid;(+/-)-m-Methoxymandelic acid;(+/-)-M-methoxymandelicacid;MFCD00004229;3-Methoxyphenylglycolic acid;m-Methoxymandelic acid;Mandelic acid, m-methoxy-;SCHEMBL503788;DTXSID90943472;CHEBI:190746;EINECS 244-243-2;AKOS005266137;Hydroxy(3-methoxyphenyl)acetic acid #;SB84666;2-hydroxy-2-(3-methoxyphenyl)aceticacid;BS-12227;SY185890;CS-0147125;FT-0766358;EN300-72676;Benzeneacetic acid, .alpha.-hydroxy-3-methoxy-;F79164

Chemical Property of 2-Hydroxy-2-(3-methoxyphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 6.59E-06mmHg at 25°C
• Melting Point: 58-60°C
• Boiling Point: 363.1°Cat760mmHg
• Flash Point: 149.3°C
• PSA: 66.76000
• Density: 1.309g/cm³
• LogP: 0.81320
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

3-Methoxymandelicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-2-(3-methoxyphenyl)acetic acid

There total 22 articles about 2-Hydroxy-2-(3-methoxyphenyl)acetic 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: 99.0%

2-(3-methoxyphenyl)glyoxylic acid (26767-10-2) → (S)-2-hydroxy-2-(3-methoxyphenyl)acetic acid (21150-12-9,32174-39-3,104528-82-7,104596-00-1)

Guidance literature:

With C₄₈H₅₀N₂O₂P₂Ru*2C₁₈H₁₅P*4Cl^(1-)*2Ru⁽²⁺⁾; hydrogen; sodium acetate; triphenylphosphine; In methanol; at 0 ℃; for 24h; under 30003 Torr; enantioselective reaction; Autoclave;

DOI:10.1002/adsc.201700846

Reference yield: 97.0%

→ (S)-2-hydroxy-2-(3-methoxyphenyl)acetic acid (21150-12-9,32174-39-3,104528-82-7,104596-00-1)

Guidance literature:

With potassium tert-butylate; hydrogen; In ethanol; at 20 ℃; for 24h; under 11400.8 Torr; Inert atmosphere; Autoclave;

Reference yield: 67.0%

(S)-(-)-2-hydroxy-2-(3-methoxyphenyl)acetonitrile (10049-65-7,53313-94-3,105307-09-3) → (S)-2-hydroxy-2-(3-methoxyphenyl)acetic acid (21150-12-9,32174-39-3,104528-82-7,104596-00-1)

Guidance literature:

With hydrogenchloride; 1. room temperature, 16 h 2. 60 deg C, 3-8 h;

DOI:10.1016/S0040-4039(00)88777-8

upstream raw materials:

3-methoxy-α-[(trimethylsilyl)oxy]benzeneacetonitrile

chloro-trimethyl-silane

potassium cyanide

3-methoxy-benzaldehyde

Downstream raw materials:

(R)-m-Methoxymandelic acid

methyl 2-hydroxy-2-(3-methoxyphenyl)acetate

3-methoxybenzyl alcohol

2-(3-methoxyphenyl)glyoxylic acid