4-Chloro-2,5-dimethoxybenzaldehyde

Base Information

• Chemical Name: 4-Chloro-2,5-dimethoxybenzaldehyde
• CAS No.: 90064-48-5
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID10451706
• Wikidata: Q82271867
• Mol file: 90064-48-5.mol

Synonyms:4-Chloro-2,5-dimethoxybenzaldehyde;90064-48-5;Benzaldehyde, 4-chloro-2,5-dimethoxy-;MFCD12964185;SCHEMBL10394357;DTXSID10451706;VWSPFJJLIGAHLK-UHFFFAOYSA-N;AKOS022189195;DS-9164;SY113998;CS-0150604;O11202

Chemical Property of 4-Chloro-2,5-dimethoxybenzaldehyde

Chemical Property:

• Melting Point: 112-114 °C
• Boiling Point: 322.4±37.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 2.16970
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• 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:

97% ^*data from raw suppliers

4-Chloro-2,5-dimethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1C=O)OC)Cl

Technology Process of 4-Chloro-2,5-dimethoxybenzaldehyde

There total 8 articles about 4-Chloro-2,5-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: 100.0%

hexamethylenetetramine (100-97-0) + 2-chloro-1,4-dimethoxybenzene (2100-42-7) → 4-chloro-2,5-dimethoxybenzaldehyde (90064-48-5)

Guidance literature:

With trifluoroacetic acid; at 95 ℃; for 5h;

DOI:10.3390/md10051103

Reference yield: 75.0%

2-chloro-1,4-dimethoxybenzene (2100-42-7) + trifluoroacetic acid (76-05-1) → 4-chloro-2,5-dimethoxybenzaldehyde (90064-48-5)

Guidance literature:

With hexamethylenetetramine; for 12h; Heating;

DOI:10.1021/jo00079a042

Reference yield: 63.0%

1-(bromomethyl)-4-chloro-2,5-dimethoxybenzene (124010-13-5) → 4-chloro-2,5-dimethoxybenzaldehyde (90064-48-5)

Guidance literature:

DOI:10.1016/S0040-4039(00)72715-8

upstream raw materials:

1-(bromomethyl)-4-chloro-2,5-dimethoxybenzene

1-chloro-4-iodo-2,5-dimethoxybenzene

N-methyl-N-phenylformamide

2-chloro-1,4-dimethoxybenzene

Downstream raw materials:

3-Carbethoxy-4-(4-chloro-2,5-dimethoxyphenyl)-3-butenoic acid

3-acetyl-4-(4-chloro-2,5-dimethoxyphenyl)but-3-enoic acid

citreorosein

1,8-dihydroxy-3-hydroxymethyl-6-methoxy-anthraquinone