Methyl 2-formyl-3,5-dimethoxybenzoate

Base Information

• Chemical Name: Methyl 2-formyl-3,5-dimethoxybenzoate
• CAS No.: 52344-93-1
• Molecular Formula: C11H12O5
• Molecular Weight: 224.213
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID40350879
• Nikkaji Number: J1.590.775D
• Wikidata: Q82126964
• Mol file: 52344-93-1.mol

Synonyms:Methyl 2-formyl-3,5-dimethoxybenzoate;52344-93-1;MFCD01321304;SCHEMBL851969;DTXSID40350879;HLWARVBOEGPPGB-UHFFFAOYSA-N;AC7964;AKOS015889450;BS-49128;SY162927;CS-0188343;FT-0749587;Methyl 2-formyl-3,5-dimethoxybenzoate, 98%;EN300-192590

Chemical Property of Methyl 2-formyl-3,5-dimethoxybenzoate

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Melting Point: 107-110 °C(lit.)
• Refractive Index: 1.534
• Boiling Point: 370.8°C at 760 mmHg
• Flash Point: 210°C
• PSA: 61.83000
• Density: 1.199g/cm³
• LogP: 1.30290
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 224.06847348
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

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

Methyl 2-formyl-3,5-dimethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1)OC)C=O)C(=O)OC
• Uses: Methyl 2-formyl-3,5-dimethoxybenzoate may be used in the preparation of methyl (E)-3,5-dimethoxy-2-{[2-(4-methoxybenzoyl)hydrazin-1-ylidene]methyl}-benzoate.

Technology Process of Methyl 2-formyl-3,5-dimethoxybenzoate

There total 9 articles about Methyl 2-formyl-3,5-dimethoxybenzoate 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: 93.0%

methyl 3,5-dimethoxybenzoate (2150-37-0) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → methyl 2-formyl-3,5-dimethoxybenzoate (52344-93-1)

Guidance literature:

With trichlorophosphate; at 0 - 80 ℃; for 18h; Inert atmosphere;

DOI:10.1039/d1ob00451d

Reference yield: 91.6%

methyl 3,5-dimethoxybenzoate (2150-37-0) + chloromethyl methyl ether (107-30-2) → methyl 2-formyl-3,5-dimethoxybenzoate (52344-93-1)

Guidance literature:

With tin(IV) chloride; In dichloromethane; at 0 ℃; for 3h; Inert atmosphere;

Reference yield: 90.0%

Dichloromethyl methyl ether (4885-02-3) + methyl 3,5-dimethoxybenzoate (2150-37-0) → methyl 2-formyl-3,5-dimethoxybenzoate (52344-93-1)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1021/ol502842f

upstream raw materials:

2-formyl-3,5-dihydroxybenzoic acid methyl ester

methyl iodide

dimethyl sulfate

Dichloromethyl methyl ether

Downstream raw materials:

clitocybin A

methyl 3,5-dimethoxy-2-carboxy benzoate

clitocybin B