3-Chloro-4,5-dimethoxybenzaldehyde

Base Information

• Chemical Name: 3-Chloro-4,5-dimethoxybenzaldehyde
• CAS No.: 18268-68-3
• Molecular Formula: C9H9 Cl O3
• Molecular Weight: 200.622
• Hs Code.: 2913000090
• NSC Number: 45931
• DSSTox Substance ID: DTXSID80286466
• Nikkaji Number: J734.026E
• Wikidata: Q72518588
• Mol file: 18268-68-3.mol

Synonyms:3-Chloro-4,5-dimethoxybenzaldehyde;18268-68-3;benzaldehyde, 3-chloro-4,5-dimethoxy-;MFCD02256335;3-CHLORO-4 5-DIMETHOXYBENZALDEHYDE 97;5-chloro-3,4-dimethoxybenzaldehyde;NSC45931;5-Chloroveratraldehyde;Cambridge id 6456054;SCHEMBL524215;DTXSID80286466;AMZCHEDPEAQEMC-UHFFFAOYSA-N;3,4-dimethoxy-5-chlorobenzaldehyde;BBL023115;NSC-45931;STK188002;AKOS000290620;VS-07330;CS-0117473;FT-0739173;EN300-07788;D94569;3-CHLORO-4,5-DIMETHOXYBENZALDEHYDE, 97%;SR-01000235025;J-011691;SR-01000235025-1;Z56960166;F3099-6697

Chemical Property of 3-Chloro-4,5-dimethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 56-60 °C(lit.)
• Boiling Point: 301.8°Cat760mmHg
• Flash Point: 131.2°C
• PSA: 35.53000
• Density: 1.245g/cm³
• LogP: 2.16970
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

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

3-chloro-4,5-dimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Chloro-4,5-dimethoxybenzaldehyde

There total 5 articles about 3-Chloro-4,5-dimethoxybenzaldehyde 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: 97.7%

→ 5-chloroveratraldehyde (18268-68-3)

Guidance literature:

Reference yield: 97.0%

5-chlorovanillin (19463-48-0) + methyl iodide (74-88-4) → 5-chloroveratraldehyde (18268-68-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/np058038i

Reference yield:

5-chlorovanillin (19463-48-0) + dimethyl sulfate (77-78-1) → 5-chloroveratraldehyde (18268-68-3)

Guidance literature:

With sodium hydroxide; at 35 ℃;

DOI:10.1021/jo01182a006

upstream raw materials:

5-chlorovanillin

dimethyl sulfate

methyl iodide

vanillin

Downstream raw materials:

4-(3-chloro-4,5-dimethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one

5-chloro-3,4-dimethoxy-6-nitrobenzaldehyde

2-amino-4-(3-chloro-4,5-dimethoxyphenyl)-3-cyano-7-(dimethylamino)-4H-chromene

3-chloro-4,4',5-trimethoxy-3'-O-tert-butyldiphenylsilyl-(Z)-stilbene

Refernces

• 1、 Maresh, Justin J.,Ralko, Arthur A.,Speltz, Tom E.,Burke, James L.,Murphy, Casey M.,Gaskell, Zachary,Girel, Joann K.,Terranova, Erin,Richtscheidt, Conrad,Krzeszowiec, Mark. "Chemoselective zinc/HCl reduction of halogenated β-nitrostyrenes: Synthesis of halogenated dopamine analogues". supporting information. p. 2891 - 2894. Retrieved 2015/02/02.
• 2、 Schobert, Rainer,Biersack, Bernhard,Dietrich, Andrea,Effenberger, Katharina,Knauer, Sebastian,Mueller, Thomas. "4-(3-Halo/amino-4,5-dimethoxyphenyl)-5-aryloxazoles and-N-methylimidazoles That Are cytotoxic against combretastatin a resistant tumor cells and vascular disrupting in a cisplatin resistant germ cell tumor model". scheme or table. p. 6595 - 6602. Retrieved 2010/11/19.