2-Methylveratraldehyde

Base Information

• Chemical Name: 2-Methylveratraldehyde
• CAS No.: 51234-09-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.2
• Hs Code.: 2912490090
• DSSTox Substance ID: DTXSID90468978
• Nikkaji Number: J759.687A
• Wikidata: Q82296513
• Mol file: 51234-09-4.mol

Synonyms:2-METHYLVERATRALDEHYDE;51234-09-4;3,4-dimethoxy-2-methylbenzaldehyde;3,4-dimethoxy-2-methyl-benzaldehyde;SCHEMBL10541475;AMY7080;DTXSID90468978;2-methylveratraldehyde, AldrichCPR;MFCD03428551;AKOS006229321;BP-10470;BS-28908;CS-0162760;D83479;EN300-128085;Z1198162856

Chemical Property of 2-Methylveratraldehyde

Chemical Property:

• Melting Point: 153 °C
• Boiling Point: 290.6±35.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.089±0.06 g/cm3(Predicted)
• LogP: 1.82470
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

2-Methylveratraldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1OC)OC)C=O

Technology Process of 2-Methylveratraldehyde

There total 18 articles about 2-Methylveratraldehyde 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%

Dichloromethyl methyl ether (4885-02-3) + 1,2-dimethoxy-3-methylbenzene (4463-33-6) → 2-methyl-3,4-dimethoxybenzaldehyde (51234-09-4)

Guidance literature:

With tin(IV) chloride; In dichloromethane; a) 0 deg C, 1 h, b) 0 deg C, 1 h, c) to room temperature;

DOI:10.1021/jo00051a033

Reference yield: 90.0%

3,4-dimethoxy-2-methyl-1-bromobenzene (74866-17-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-methyl-3,4-dimethoxybenzaldehyde (51234-09-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran;

Reference yield: 88.0%

2-methyl-3,4-dimethoxybenzyl alcohol (80547-78-0) → 2-methyl-3,4-dimethoxybenzaldehyde (51234-09-4)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jm00345a013

upstream raw materials:

1-(chloromethyl)-3,4-dimethoxy-2-methylbenzene

hydrogen cyanide

3-methylbenzene-1,2-diol

Dichloromethyl methyl ether

Downstream raw materials:

1,2-dimethoxy-3-methyl-4-(2-nitro-propenyl)-benzene

2-methyl-3,4-dimethoxy-β-nitrostyrene

3-hydroxy-4-methoxy-2-methyl-benzaldehyde

2-methyl-3,4-dimethoxybenzoic acid