4,5-Dimethoxy-2-methylbenzaldehyde

Base Information

• Chemical Name: 4,5-Dimethoxy-2-methylbenzaldehyde
• CAS No.: 7721-62-2
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2912499000
• European Community (EC) Number: 231-759-8
• NSC Number: 109346
• UNII: WX979Y8NW7
• DSSTox Substance ID: DTXSID30227965
• Nikkaji Number: J60.301E
• Wikidata: Q72468012
• Mol file: 7721-62-2.mol

Synonyms:4,5-Dimethoxy-2-methylbenzaldehyde;7721-62-2;WX979Y8NW7;EINECS 231-759-8;NSC-109346;4,5-Dimethoxy-2-methyl-benzaldehyde;NSC109346;6-Methylveratraldehyde;UNII-WX979Y8NW7;SCHEMBL1494078;DTXSID30227965;2-Methyl-4,5-dimethoxybenzaldehyde;BBL025901;MFCD00094433;STL376508;AKOS000113377;NSC 109346;Benzaldehyde, 4,5-dimethoxy-2-methyl-;AC-27726;AS-62102;BB 0217759;CS-0061245;EN300-101310;W16871;A850826;AP-065/41884115;Z732814028

Chemical Property of 4,5-Dimethoxy-2-methylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Melting Point: 86-87℃
• Boiling Point: 298.4°Cat760mmHg
• Flash Point: 125.1°C
• PSA: 35.53000
• Density: 1.089g/cm³
• LogP: 1.82470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

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

4,5-dimethoxy-2-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C=O)OC)OC

Technology Process of 4,5-Dimethoxy-2-methylbenzaldehyde

There total 35 articles about 4,5-Dimethoxy-2-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: 97.0%

Dichloromethyl methyl ether (4885-02-3) + 1,2-dimethoxy-4-methylbenzene (494-99-5) → 4,5-dimethoxy-2-methylbenzaldehyde (7721-62-2)

Guidance literature:

With tin(IV) chloride; In 1,2-dichloro-ethane; 1.) ice-bath, 30 min, 2.) ice-bath temperature->room temperature, 24 h;

Reference yield: 94.0%

1,2-dimethoxy-4-methylbenzene (494-99-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4,5-dimethoxy-2-methylbenzaldehyde (7721-62-2)

Guidance literature:

With trichlorophosphate; at 90 - 95 ℃; Inert atmosphere;

DOI:10.1248/cpb.56.1026

Reference yield: 91.0%

2-(4,5-dimethoxy-2-methylphenyl)-1,3-dioxolane (113976-02-6) → 4,5-dimethoxy-2-methylbenzaldehyde (7721-62-2)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jo00245a052

upstream raw materials:

hydrogen cyanide

1,2-dimethoxy-4-methylbenzene

(4,5-dimethoxy-2-methyl-benzyliden)-aniline

N,N-dimethyl-formamide

Downstream raw materials:

4,5-dimethoxy-2-methyl-β-nitro-styrene

2-cyano-3t-(4,5-dimethoxy-2-methyl-phenyl)-acrylic acid ethyl ester

4,5-dimethoxy-2-methyl-2'-(methoxymethyl)cinnamonitrile

C₁₄H₁₇NO₃

Refernces

• 1、 -. "Ormetoprim synthesis method". Paragraph 0037; 0038; 0050; 0051. . Retrieved 2017/11/16.
• 2、 Chrzanowskak, Maria,Meissner, Zofia,Chrzanowska, Joanna M.,Gzella, Andrzej K.. "Synthesis and crystal structure of (4s)-4-benzyl-3-(4,5-dimethoxy-2-methylbenzoyl)- 2,2-dimethyl-1,3-oxazolidine". . p. 730 - 739. Retrieved 2015/03/04.