2-Methoxy-4-methylbenzaldehyde

Base Information

• Chemical Name: 2-Methoxy-4-methylbenzaldehyde
• CAS No.: 57415-35-7
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2912499000
• European Community (EC) Number: 848-688-9
• DSSTox Substance ID: DTXSID60423690
• Wikidata: Q72490310
• Mol file: 57415-35-7.mol

Synonyms:2-Methoxy-4-methylbenzaldehyde;57415-35-7;2-Methoxy-4-methyl-benzaldehyde;Benzaldehyde, 2-methoxy-4-methyl-;MFCD06248007;SCHEMBL96209;DTXSID60423690;BBL034934;SC3771;STL412002;AKOS000108228;AC-4314;CS-W021710;DS-3447;SY011760;A8185;AM20040748;FT-0678763;EN300-110529;Z1198168470

Chemical Property of 2-Methoxy-4-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0141mmHg at 25°C
• Melting Point: 40-43 °C
• Refractive Index: 1.542
• Boiling Point: 258 °C
• Flash Point: 114 °C
• PSA: 26.30000
• Density: 1.062 g/cm³
• LogP: 1.81610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-4-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C=O)OC
• Uses: 2-Methoxy-4-methylbenzaldehyde acts as a reagent in the synthesis of [3,2-d]pyrimidine derivatives as week as in the synthesis of tachykinin NK2 receptor antagonists which may be used in the treatment of IBS.

Technology Process of 2-Methoxy-4-methylbenzaldehyde

There total 10 articles about 2-Methoxy-4-methylbenzaldehyde 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%

2,5-Dimethyl-anisol (1706-11-2) → 2-methoxy-4-methylbenzaldehyde (57415-35-7)

Guidance literature:

With dipotassium peroxodisulfate; copper(II) sulfate; In water; acetonitrile; Heating;

DOI:10.1055/s-1987-28061

Reference yield: 92.0%

4-methylsalicylaldehyde (698-27-1) + methyl iodide (74-88-4) → 2-methoxy-4-methylbenzaldehyde (57415-35-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1016/j.tet.2021.132282

Reference yield: 59.0%

(2-methoxy-4-methylphenyl)methanol (10542-80-0) → 2-methoxy-4-methylbenzaldehyde (57415-35-7)

Guidance literature:

With dipyridinium dichromate; In dichloromethane; for 51h; Ambient temperature;

DOI:10.1021/jm00082a014

upstream raw materials:

(2-methoxy-4-methylphenyl)methanol

2,5-Dimethyl-anisol

(2-Methoxy-4-methyl-phenyl)-((S)-2-methoxymethyl-pyrrolidin-1-yl)-methanone

methyl iodide

Downstream raw materials:

2-hydroxy-p-toluic acid

1-hydroxy-2-(2-methoxy-4-methylphenyl)-4-methyl-5-(pyridin-3-yl)imidazole

2-methoxy-4-methylbenzoic acid

2-methoxyterephthalic acid