4-Formylphenoxyacetic acid

Base Information

• Chemical Name: 4-Formylphenoxyacetic acid
• CAS No.: 22042-71-3
• Molecular Formula: C9H8 O4
• Molecular Weight: 180.16
• Hs Code.: 29189900
• European Community (EC) Number: 244-749-3
• DSSTox Substance ID: DTXSID9066754
• Nikkaji Number: J285.420A
• Wikidata: Q72479361
• Mol file: 22042-71-3.mol

Synonyms:4-Formylphenoxyacetic acid;22042-71-3;2-(4-formylphenoxy)acetic acid;(4-formylphenoxy)acetic acid;Acetic acid, (4-formylphenoxy)-;p-Formylphenoxyacetic acid;(p-Formylphenoxy)acetic acid;4-(Carboxymethyloxy)benzaldehyde;Acetic acid, 2-(4-formylphenoxy)-;4-FORMYL PHENOXY ACETIC ACID;4-formylphenoxyactic acid;4-formylphenoxy acetic acid;4-carboxymethoxy-benzaldehyde;SCHEMBL349060;(4-formyl phenoxy)acetic acid;2-(4-formylphenoxy)aceticacid;4-(Carboxymethoxy)benzaldehyde;4-FORMYLPHENOXYACETICACID;(4-formyl-phenoxy)-acetic acid;DTXSID9066754;Acetic acid, (p-formylphenoxy)-;EINECS 244-749-3;BBL023166;MFCD00016613;STK187120;Acetic acid, 2-(4-formylphenyloxy)-;AKOS000113209;UPCMLD0ENAT5799832:001;AS-19908;4-Formylphenoxyacetic acid, >=97.0% (T);CS-0137169;F0319;FT-0616775;EN300-18182;A878784;AG-205/04819042;J-014440;Z57305439

Chemical Property of 4-Formylphenoxyacetic acid

Chemical Property:

• Appearance/Colour: BEIGE CRYSTALLINE POWDER
• Vapor Pressure: 3.12E-06mmHg at 25°C
• Melting Point: 193-196 °C
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 373.2 °C at 760 mmHg
• PKA: 3.04±0.10(Predicted)
• Flash Point: 155.3 °C
• PSA: 63.60000
• Density: 1.322 g/cm³
• LogP: 0.96250
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Soluble in hot methanol within almost transparency.
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OCC(=O)O
• Uses: 4-Formylphenoxyacetic acid is used as an organic chemical synthesis intermediate.

Technology Process of 4-Formylphenoxyacetic acid

There total 14 articles about 4-Formylphenoxyacetic 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: 100.0%

ethyl 2-(4-formylphenoxy)acetate (51264-69-8) → (4-formylphenoxy)acetic acid (22042-71-3)

Guidance literature:

ethyl 2-(4-formylphenoxy)acetate; With water; triethylamine; lithium bromide; In acetonitrile; at 20 ℃;

With hydrogenchloride;

DOI:10.1016/j.bmc.2015.10.046

Reference yield: 100.0%

tert-Butyl (4-formylphenoxy)acetate (276884-77-6) → (4-formylphenoxy)acetic acid (22042-71-3)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃;

DOI:10.1021/jm900298c

Reference yield: 95.0%

methyl (4-formylphenoxy)acetate (73620-18-5) → (4-formylphenoxy)acetic acid (22042-71-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; for 0.5h;

DOI:10.1021/ol049313f

upstream raw materials:

tetrachloromethane

4-hydroxy-benzaldehyde

chloroacetic acid

Iodoacetic acid

Downstream raw materials:

4-carboxymethoxy-trans-cinnamic acid

(E)-2-(4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy)acetic acid

ethyl 2-(4-formylphenoxy)acetate

[4-(phenylhydrazono-methyl)-phenoxy]-acetic acid