3,5-Diisopropoxybenzaldehyde

Base Information

• Chemical Name: 3,5-Diisopropoxybenzaldehyde
• CAS No.: 94169-64-9
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• DSSTox Substance ID: DTXSID70461962
• Nikkaji Number: J2.504.663C
• Wikidata: Q82286423
• Mol file: 94169-64-9.mol

Synonyms:3,5-diisopropoxybenzaldehyde;94169-64-9;3,5-di(propan-2-yloxy)benzaldehyde;3,5-diisopropoxy-benzaldehyde;SCHEMBL1121444;DTXSID70461962;RVJSOGIYAICWMA-UHFFFAOYSA-N;MFCD17014848;AKOS015890908

Chemical Property of 3,5-Diisopropoxybenzaldehyde

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC(=CC(=C1)C=O)OC(C)C

Technology Process of 3,5-Diisopropoxybenzaldehyde

There total 11 articles about 3,5-Diisopropoxybenzaldehyde 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: 94.0%

3,5-dihydroxybenzaldehyde (26153-38-8) + isopropyl bromide (75-26-3) → 3,5-diisopropyloxyphenylcarboxaldehyde (94169-64-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 55 ℃; for 2.5h;

DOI:10.1016/S0040-4020(03)00405-8

Reference yield: 83.0%

3,5-dihydroxybenzaldehyde (26153-38-8) + isopropyl bromide (75-26-3) → 3-hydroxy-5-isopropoxybenzaldehyde + 3,5-diisopropyloxyphenylcarboxaldehyde (94169-64-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 18h;

Reference yield: 83.0%

C16H24O4 (951776-82-2) → 3,5-diisopropyloxyphenylcarboxaldehyde (94169-64-9)

Guidance literature:

C₁₆H₂₄O₄; With diisobutylaluminium hydride; In dichloromethane; at -78 ℃; for 0.5h;

With manganese(IV) oxide; In dichloromethane; for 72h; Further stages.;

DOI:10.1021/ol7014219

upstream raw materials:

(3,5-diisopropoxyphenyl)methanol

3,5-dihydroxybenzaldehyde

isopropyl bromide

C₁₆H₂₄O₄

Downstream raw materials:

α-(4-methoxyphenyl)-m,m-diisopropoxycinnamic acid

α-(4-isopropoxyphenyl)-m,m-diisopropoxycinnamic acid

C₂₁H₂₄O₅

(Z)-3-(3,5-diisopropoxyphenyl)-2-(4-methoxyphenyl)acrylaldehyde