2,3,6-Trimethoxybenzaldehyde

Base Information

• Chemical Name: 2,3,6-Trimethoxybenzaldehyde
• CAS No.: 5556-86-5
• Molecular Formula: C10H12O4
• Molecular Weight: 196.203
• European Community (EC) Number: 226-918-3
• UNII: DD5LX99GGR
• DSSTox Substance ID: DTXSID90204116
• Nikkaji Number: J225.013F
• Wikidata: Q83077564
• Mol file: 5556-86-5.mol

Synonyms:2,3,6-Trimethoxybenzaldehyde;2,3,6-Trimethoxy-benzaldehyde;5556-86-5;DD5LX99GGR;EINECS 226-918-3;UNII-DD5LX99GGR;SCHEMBL1001988;DTXSID90204116;AKOS006293880;CS-0225131;EN300-1228692;Z1198170000

Chemical Property of 2,3,6-Trimethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000203mmHg at 25°C
• Boiling Point: 327.4°Cat760mmHg
• Flash Point: 145.2°C
• Density: 1.133g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)OC)OC)C=O

Technology Process of 2,3,6-Trimethoxybenzaldehyde

There total 7 articles about 2,3,6-Trimethoxybenzaldehyde 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: 89.0%

1,2,4-trimethoxy-benzene (135-77-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3,6-trimethoxybenzaldehyde (5556-86-5)

Guidance literature:

With n-butyllithium; In diethyl ether; for 2h; Heating;

DOI:10.1055/s-2007-977441

Reference yield: 74.0%

2,3,6-trimethoxybenzyl alcohol (1104548-55-1) → 2,3,6-trimethoxybenzaldehyde (5556-86-5)

Guidance literature:

With manganese(IV) oxide; In benzene; for 8h; Heating;

DOI:10.1002/jms.1347

Reference yield: 50.0%

methanol (67-56-1) + 2,3-dimethyoxybenzaldehyde (86-51-1) → 2,3,6-trimethoxybenzaldehyde (5556-86-5)

Guidance literature:

With dipotassium peroxodisulfate; palladium diacetate; 3-trifluoromethylaniline; In dichloromethane; at 60 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.9b01158

upstream raw materials:

3,6-dihydroxy-2-methoxybenzaldehyde

dimethyl sulfate

1,2,4-trimethoxy-benzene

N,N-dimethyl-formamide

Downstream raw materials:

1-(2,3,6-Trimethoxyphenyl)-2-nitropropene

2,3,6-trimethoxybenzyl alcohol

(1E,4E)-1,5-bis(2,3,6-trimethoxyphenyl)penta-1,4-dien-3-one

2,3,6-trimethoxy-phenethylamine