2-(4-formylphenyl)acetic Acid

Base Information

• Chemical Name: 2-(4-formylphenyl)acetic Acid
• CAS No.: 34841-47-9
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2918300090
• European Community (EC) Number: 809-091-9
• UNII: 8DJ2L7EJC7
• DSSTox Substance ID: DTXSID40462921
• Nikkaji Number: J60.354F
• Wikidata: Q82287559
• Mol file: 34841-47-9.mol

Synonyms:2-(4-formylphenyl)acetic Acid;34841-47-9;p-formylphenylacetic acid;4-Formylbenzeneacetic acid;Benzeneacetic acid, 4-formyl-;4-CARBONYLPHENYLACETIC ACID;4-formylphenylacetic acid;(4-Formylphenyl)acetic acid;8DJ2L7EJC7;4-(Carboxymethyl)benzaldehyde;2-(4-formylphenyl) acetic acid;MFCD09998872;2-(4-Formylphenyl)aceticacid;4-carboxymethylbenzaldehyde;UNII-8DJ2L7EJC7;SCHEMBL225479;DTXSID40462921;AGPZPJHWVWZCMG-UHFFFAOYSA-N;CX1079;AKOS006302405;DS-5775;SY026371;(4-formyl-phenyl)-acetic acid, AldrichCPR;FT-0752930;EN300-321423;A874849;Z1198269767

Chemical Property of 2-(4-formylphenyl)acetic Acid

Chemical Property:

• Melting Point: 131 °C
• Boiling Point: 349.2±17.0 °C(Predicted)
• PKA: 4.06±0.10(Predicted)
• PSA: 54.37000
• Density: 1.277±0.06 g/cm3(Predicted)
• LogP: 1.12620
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°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: 169

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Formylphenyl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(=O)O)C=O

Technology Process of 2-(4-formylphenyl)acetic Acid

There total 10 articles about 2-(4-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: 92.0%

4-hydroxymethylphenylacetic acid (73401-74-8) → 2-(4-formylphenyl)acetic acid (34841-47-9)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; water; at 0 - 20 ℃; for 4h;

DOI:10.1039/d0cc01982h

Reference yield: 87.0%

4-bromophenylacetic acid (13737-36-5) → 2-(4-formylphenyl)acetic acid (34841-47-9)

Guidance literature:

4-bromophenylacetic acid; With ethanol; hexamethylenetetramine; water; for 4h; Reflux;

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

Reference yield: 78.0%

methyl 2-(4-formylphenyl)acetate (96524-70-8) → 2-(4-formylphenyl)acetic acid (34841-47-9)

Guidance literature:

methyl 2-(4-formylphenyl)acetate; With methanol; sodium hydroxide; water; at 20 ℃; for 16h;

With hydrogenchloride; In water; pH=1;

upstream raw materials:

ethyl 2-(4-formylphenyl)acetate

4-hydroxymethylphenylacetic acid

4-cyanophenylacetic acid

methyl 2-(4-formylphenyl)acetate

Downstream raw materials:

(4-benzothiazol-2-yl-phenyl)-acetic acid

[4-(1-Hydroxy-decyl)-phenyl]-acetic acid

terephthalaldehyde,

[4-({[3-(6-amino-2-butoxy-8-methoxy-9H-purin-9-yl)propyl]amino}methyl)phenyl]acetic acid

Refernces

• 1、 Fung, Yi Man Eva,Huang, Yiran,Li, Xiaoyu,Peng, Jianzhao,Song, Yinan,Xiong, Feng. "Introducing aldehyde functionality to proteins using ligand-directed affinity labeling". supporting information. p. 6134 - 6137. Retrieved 2020/06/10.
• 2、 Trillo, Paz,Slagbrand, Tove,Tinnis, Fredrik,Adolfsson, Hans. "Facile preparation of pyrimidinediones and thioacrylamides: Via reductive functionalization of amides". supporting information. p. 9159 - 9162. Retrieved 2017/08/17.