4-Chloro-2-formylphenyl acetate

Base Information

• Chemical Name: 4-Chloro-2-formylphenyl acetate
• CAS No.: 60315-73-3
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.606
• NSC Number: 114589
• DSSTox Substance ID: DTXSID70297167
• Nikkaji Number: J2.356.916G
• Wikidata: Q82038150
• Mol file: 60315-73-3.mol

Synonyms:60315-73-3;4-chloro-2-formylphenyl acetate;NSC114589;SCHEMBL18114753;DTXSID70297167;NSC-114589

Chemical Property of 4-Chloro-2-formylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.000958mmHg at 25°C
• Boiling Point: 303°C at 760 mmHg
• Flash Point: 133.7°C
• Density: 1.318g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.0083718
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=C(C=C(C=C1)Cl)C=O

Technology Process of 4-Chloro-2-formylphenyl acetate

There total 2 articles about 4-Chloro-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: 95.0%

acetic anhydride (108-24-7) + 5-chlorosalicyclaldehyde (635-93-8) → 4-chloro-2-formylphenyl acetate (60315-73-3)

Guidance literature:

With lanthanum(III) nitrate; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2006.07.059

Reference yield: 90.0%

1,1-diacetoxy-1-[2-(acetyloxy)-5-chlorophenyl]methane → 4-chloro-2-formylphenyl acetate (60315-73-3)

Guidance literature:

With zirconium(IV) chloride; In methanol; at 20 ℃; for 0.133333h;

DOI:10.1016/j.tet.2003.10.002

Reference yield: 89.0%

2-methyl-2,4-pentanediol (107-41-5) + 4-chloro-2-formylphenyl acetate (60315-73-3) → 4-chloro-2-(4',4',6'-trimethyl-1',3'-dioxan-2'-yl)phenol

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In toluene; for 20h; Ambient temperature;

upstream raw materials:

acetic anhydride

5-chlorosalicyclaldehyde

Downstream raw materials:

5-chloro-2-hydroxybenzaldehyde dimethyl acetal

5-chlorosalicyclaldehyde

Acetic acid (5-chloro-2-hydroxy-phenyl)-(dimethoxy-phosphoryl)-methyl ester

2-(3-acetyl-5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl)-4-chlorophenyl acetate

Refernces

• 1、 Li, Xin,Xue, Jijun,Huang, Chusheng,Li, Ying. "Copper(I)-catalyzed hydroalkoxylation/hydrogen-bonding-induced asymmetric hetero-diels-alder cycloaddition cascade: An approach to aromatic spiroketals". supporting information; experimental part. p. 903 - 906. Retrieved 2012/07/03.
• 2、 Smitha,Reddy, Ch. Sanjeeva. "A facile and efficient ZrCl4 catalyzed conversion of aldehydes to geminal-diacetates and dipivalates and their cleavage". . p. 9571 - 9576. Retrieved 2007/10/03.