2-Formylphenyl acetate

Base Information

• Chemical Name: 2-Formylphenyl acetate
• CAS No.: 5663-67-2
• Molecular Formula: C9H8O3
• Molecular Weight: 164.161
• Hs Code.: 2915390090
• European Community (EC) Number: 811-246-0
• NSC Number: 40538
• DSSTox Substance ID: DTXSID40285112
• Nikkaji Number: J552.416D
• Wikidata: Q82020365
• Mol file: 5663-67-2.mol

Synonyms:2-formylphenyl acetate;5663-67-2;(2-formylphenyl) acetate;2-acetoxybenzaldehyde;acetoxybenzaldehyde;acetylsalicylaldehyde;NSC40538;2-formylphenylacetate;2-acetoxy-benzaldehyde;SCHEMBL870959;2-Formylphenyl acetate, tech.;DTXSID40285112;JWSIJFDOWHFZTK-UHFFFAOYSA-N;MFCD00553742;NSC-40538;STL503468;AKOS022249246;SB85423;ACETIC ACID 2-FORMYL-PHENYL ESTER;CS-0099717

Chemical Property of 2-Formylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.00592mmHg at 25°C
• Melting Point: 36-37 °C
• Boiling Point: 272.9°Cat760mmHg
• Flash Point: 118.3°C
• PSA: 43.37000
• Density: 1.183g/cm³
• LogP: 1.42440
• XLogP3: 1.5
• 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:

95% ^*data from raw suppliers

2-FormylphenylAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C=O

Technology Process of 2-Formylphenyl acetate

There total 24 articles about 2-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: 100.0%

acetic anhydride (108-24-7) + salicylaldehyde (90-02-8) → 2-acetoxybenzaldehyde (5663-67-2)

Guidance literature:

With pyridine;

DOI:10.1039/c3ob41631c

Reference yield: 99.0%

2-acetoxy-benzoic acid diethylamide (91731-53-2) → 2-acetoxybenzaldehyde (5663-67-2)

Guidance literature:

With Schwartz's reagent; In tetrahydrofuran; at 20 ℃; for 0.25h;

DOI:10.1021/ja002149g DOI:10.1021/ja066362+

Reference yield: 98.2%

salicylaldehyde (90-02-8) + acetyl chloride (75-36-5) → 2-acetoxybenzaldehyde (5663-67-2)

Guidance literature:

With acetic acid; at 125 ℃; for 2h;

upstream raw materials:

1,1-diacetoxy-1-(2-acetoxyphenyl)methane

acetic anhydride

salicylaldehyde

Ketene

Downstream raw materials:

3-benzamidocoumarin

(Z)-4-o-acetoxybenzylidene-2-phenyl-4,5-dihydrooxazol-5-one

2-acetoxy-benzaldehyde-selenosemicarbazone

coumarin

Refernces

• 1、 -. "Synthesis method of 5-(2-bromoacetyl)-2-hydroxybenzaldehyde". Paragraph 0014; 0020. . Retrieved 2019/06/12.
• 2、 Stache, Erin E.,Ertel, Alyssa B.,Rovis, Tomislav,Doyle, Abigail G.. "Generation of Phosphoranyl Radicals via Photoredox Catalysis Enables Voltage-Independent Activation of Strong C-O Bonds". . p. 11134 - 11139. Retrieved 2018/11/21.