2-(3-Formylphenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Formylphenyl)acetic acid
• CAS No.: 34956-29-1
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2918300090
• European Community (EC) Number: 852-709-7
• Nikkaji Number: J2.684.154B
• Mol file: 34956-29-1.mol

Synonyms:2-(3-Formylphenyl)acetic acid;34956-29-1;(3-Formyl-phenyl)-acetic acid;MFCD20638515;3-formylphenylacetic acid;2-(3-Formylphenyl)aceticacid;SCHEMBL2388359;IQAJOXWTCPIEQQ-UHFFFAOYSA-N;AKOS022188246;CS-W021392;DS-8893;SY120646;EN300-151643;A874811;Z1262512246

Chemical Property of 2-(3-Formylphenyl)acetic acid

Chemical Property:

• Melting Point: 92-94 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• Boiling Point: 340.0±25.0 °C(Predicted)
• PKA: 4.19±0.10(Predicted)
• PSA: 54.37000
• Density: 1.277±0.06 g/cm3(Predicted)
• LogP: 1.12620
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Formylphenyl)aceticacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Formylphenyl)acetic acid

There total 9 articles about 2-(3-Formylphenyl)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: 72.0%

(3-bromomethyl-phenyl)-acetic acid (118647-53-3) → 2-(3-formylphenyl)acetic acid (34956-29-1)

Guidance literature:

(3-bromomethyl-phenyl)-acetic acid; With hexamethylenetetramine; water; In ethanol; for 4h; Reflux; Inert atmosphere;

With hydrogenchloride; In ethanol; water; for 0.5h; Reflux; Inert atmosphere;

Reference yield: 62.0%

m-methylphenylacetic acid (621-36-3) → 2-(3-formylphenyl)acetic acid (34956-29-1)

Guidance literature:

m-methylphenylacetic acid; With N-Bromosuccinimide; In chloroform; for 8h; Reflux;

With ethanol; hexamethylenetetramine; water; for 4h; Reflux;

With hydrogenchloride; In water-d2; for 0.5h; Reflux;

Reference yield: 26.6%

ethyl 2-(3-formylphenyl)acetate (210115-24-5) → 2-(3-formylphenyl)acetic acid (34956-29-1)

Guidance literature:

With water; lithium hydroxide; In methanol; at 20 ℃; for 2h;

upstream raw materials:

<3-(3-methoxy-3-oxo-1-propenyl)phenyl>acetic acid

3-iodophenylacetic acid

methyl 3-formylphenylacetate

(3-bromomethyl-phenyl)-acetic acid

Downstream raw materials:

N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-3-formylbenzeneacetamide

C₂₂H₁₉N₃O₃

3-(1H-tetrazol-5-ylmethylaminocarbonylmethyl)-benzaldehyde

C₂₇H₂₃Cl₂F₂NO₆