Methyl 4-chloro-3-formylbenzoate

Base Information

• Chemical Name: Methyl 4-chloro-3-formylbenzoate
• CAS No.: 1044920-98-0
• Molecular Formula: C₉H₇ClO₃
• Molecular Weight: 198.606
• European Community (EC) Number: 826-300-9
• Mol file: 1044920-98-0.mol

Synonyms:METHYL 4-CHLORO-3-FORMYLBENZOATE;1044920-98-0;SCHEMBL4715538;MFCD16036863;METHYL4-CHLORO-3-FORMYLBENZOATE;AS-50317;CS-0104905;EN300-195099;O11934;A906874;Z1255374743

Chemical Property of Methyl 4-chloro-3-formylbenzoate

Chemical Property:

• Boiling Point: 295.8±25.0 °C(Predicted)
• Density: 1.315±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• 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:

97% ^*data from raw suppliers

Methyl4-Chloro-3-formylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 4-chloro-3-formylbenzoate

There total 5 articles about Methyl 4-chloro-3-formylbenzoate 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%

Methyl 3-formylbenzoate (52178-50-4) → methyl 4-chloro-3-formyl-benzoate (1044920-98-0)

Guidance literature:

With N-chloro-succinimide; palladium diacetate; silver trifluoroacetate; anthranilic acid; trifluoroacetic acid; In 1,2-dichloro-ethane; at 60 ℃; for 24h; Sealed tube;

DOI:10.1021/jacs.6b11188

Reference yield: 68.2%

methyl 4-chloro-3-methylbenzoate (91367-05-4) → methyl 4-chloro-3-formyl-benzoate (1044920-98-0)

Guidance literature:

methyl 4-chloro-3-methylbenzoate; With chromium(III) oxide; sulfuric acid; acetic anhydride; acetic acid; at 0 ℃; for 3.5h;

In methanol; water; for 0.5h; Reflux;

DOI:10.1016/j.ejmech.2014.11.008

Reference yield: 60.0%

methyl 4-chloro-3-(diacetoxymethyl)benzoate → methyl 4-chloro-3-formyl-benzoate (1044920-98-0)

Guidance literature:

With sulfuric acid; In methanol; for 1h; Reflux;

DOI:10.1016/j.ejmech.2020.112338

upstream raw materials:

4-chloro-3-hydroxymethylbenzoic acid methyl ester

methyl 4-chloro-3-methylbenzoate

4-chloro-3-methylbenzoic acid

Methyl 3-formylbenzoate

Downstream raw materials:

2-chloro-5-(methoxycarbonyl)benzoic acid