3-Formylphenyl acetate

Base Information

• Chemical Name: 3-Formylphenyl acetate
• CAS No.: 34231-78-2
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 29130000
• European Community (EC) Number: 251-890-4
• DSSTox Substance ID: DTXSID80187808
• Nikkaji Number: J60.292B
• Wikidata: Q72434285
• Mol file: 34231-78-2.mol

Synonyms:3-Formylphenyl acetate;3-Acetoxybenzaldehyde;34231-78-2;(3-formylphenyl) acetate;Benzaldehyde, 3-(acetyloxy)-;Acetoxybenzaldehyde;97%;Acetic Acid 3-Formylphenyl Ester;EINECS 251-890-4;AI3-31881;m-acetoxybenzaldehyde;3-Formylphenylacetate;m-ace-toxybenzaldehyde;m-Hydroxybenzaldehyde acetate;SCHEMBL2094506;DTXSID80187808;MFCD00016603;AKOS006230162;AM83000;CS-W014313;PS-5110;FT-0614867;A822125;W-106743;3-Formylphenyl AcetateAcetic Acid 3-Formylphenyl Ester

Chemical Property of 3-Formylphenyl acetate

Chemical Property:

• Appearance/Colour: Colorless to Yellow Liquid
• Refractive Index: 1.5330
• Boiling Point: 271.636 °C at 760 mmHg
• Flash Point: 117.58 °C
• PSA: 43.37000
• Density: 1.183 g/cm³
• LogP: 1.42440
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 164.047344113
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

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

3-Acetoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC(=C1)C=O
• Uses: 3-Acetoxybenzaldehyde, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as an intermediate in organic synthesis.

Technology Process of 3-Formylphenyl acetate

There total 9 articles about 3-Formylphenyl acetate 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: 95.0%

acetic anhydride (108-24-7) + meta-hydroxybenzaldehyde (100-83-4) → 3-formylphenyl acetate (34231-78-2)

Guidance literature:

With pyridine;

DOI:10.1021/jo00132a022

Reference yield: 95.0%

meta-hydroxybenzaldehyde (100-83-4) → 3-formylphenyl acetate (34231-78-2)

Guidance literature:

DOI:10.1016/S0040-4020(01)91921-0

Reference yield: 93.0%

meta-hydroxybenzaldehyde (100-83-4) + acetyl chloride (75-36-5) → 3-formylphenyl acetate (34231-78-2)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo501505j

upstream raw materials:

acetic anhydride

meta-hydroxybenzaldehyde

diethyl ether

3-acetoxybenzoic acid

Downstream raw materials:

1-hydroxy-1-(3-hydroxyphenyl)propan-2-one

(3-acetoxy-benzylidene)-malononitrile

3-Acetoxy-α-fluor-zimtsaeure-ethylester

trans-3-(3-acetoxybenzylidene)-3,4-dihydro-4-methyl-1H-1,4-benzodiazepine-2,5-dione

Refernces

• 1、 Hasanin, Mohamed S.,Abdelraof, Mohamed,Fikry, Mohamed,Shaker, Yasser M.,Sweed, Ayman M. K.,Senge, Mathias O.. "Development of antimicrobial laser-induced photodynamic therapy based on ethylcellulose/chitosan nanocomposite with 5,10,15,20-tetrakis(M-hydroxyphenyl)porphyrin". . . Retrieved 2021/06/30.
• 2、 Gazizov,Ivanova, S. Yu.,Ibragimov, Sh. N.,Khairullin,Karimova,Gazizova,Antipin. "Synthesis of functionally substituted benzaldehydes". . p. 227 - 229. Retrieved 2017/11/07.