4-Isopropoxy-3-methoxybenzaldehyde

Base Information

• Chemical Name: 4-Isopropoxy-3-methoxybenzaldehyde
• CAS No.: 2538-98-9
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2912499000
• European Community (EC) Number: 672-083-7
• DSSTox Substance ID: DTXSID10351737
• Nikkaji Number: J1.130.108H
• Wikidata: Q82128387
• Mol file: 2538-98-9.mol

Synonyms:4-isopropoxy-3-methoxybenzaldehyde;2538-98-9;4-Isopropoxy-3-methoxy-benzaldehyde;3-methoxy-4-propan-2-yloxybenzaldehyde;3-methoxy-4-(propan-2-yloxy)benzaldehyde;MFCD00837588;benzaldehyde, 3-methoxy-4-(1-methylethoxy)-;Vanillin isopropyl ether;Vanillin, isopropyl ether;Benzaldehyde,3-methoxy-4-(1-methylethoxy)-;SCHEMBL1159006;DTXSID10351737;3-Methoxy-4-isopropoxybenzaldehyde;BBL013683;STK346820;4-iso-propoxy-3-methoxy-benzaldehyde;AKOS000201980;FS-5651;BB 0243279;FT-0677756;EN300-05338;E89521;A817839;Z53833579;4-CHLORO-2-PIPERAZIN-1-YL-PYRIMIDINEHYDROCHLORIDE

Chemical Property of 4-Isopropoxy-3-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00131mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 297.9 °C at 760mmHg
• Flash Point: 124.8 °C
• PSA: 35.53000
• Density: 1.064 g/cm³
• LogP: 2.29490
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

99%, ^*data from raw suppliers

4-Isopropoxy-3-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropoxy-3-methoxybenzaldehyde

There total 7 articles about 4-Isopropoxy-3-methoxybenzaldehyde 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%

vanillin (121-33-5,8014-42-4) + isopropyl bromide (75-26-3) → 4-isopropyloxy-3-methoxybenzaldehyde (2538-98-9)

Guidance literature:

DOI:10.1021/jo00224a057

Reference yield:

2-iodo-propane (75-30-9) + vanillin (121-33-5,8014-42-4) → 4-isopropyloxy-3-methoxybenzaldehyde (2538-98-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

2-methoxy-phenol (90-05-1) → 4-isopropyloxy-3-methoxybenzaldehyde (2538-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; potassium iodide / ethanol / 24 h / Reflux

2: trichlorophosphate / 19 h / 100 - 115 °C / Cooling with ice

With potassium carbonate; potassium iodide; trichlorophosphate; In ethanol; 2: |Vilsmeier-Haack Formylation;

DOI:10.1007/s11164-012-0804-6

upstream raw materials:

vanillin

isopropyl bromide

2-iodo-propane

2-methoxy-phenol

Downstream raw materials:

4-isopropyloxy-3-methoxybenzoic acid

vanillin

3-methoxy-4-isopropoxybenzoxime

4-isopropoxy-3-methoxy-trans-cinnamaldehyde

Refernces

• 1、 Younai, Ashkaan,Chin, Gregory F.,Shaw, Jared T.. "Diastereoselective synthesis of (±)-heliotropamide by a one-pot, four-component reaction". . p. 8333 - 8336. Retrieved 2010.
• 2、 Mu?kinja, Jovana,Burmud?ija, Adrijana,Ratkovi?, Zoran,Rankovi?, Branislav,Kosani?, Marijana,Bogdanovi?, Goran A.,Novakovi?, Sla?ana B.. "Ferrocenyl chalcones with O-alkylated vanillins: synthesis, spectral characterization, microbiological evaluation, and single-crystal X-ray analysis". . p. 1744 - 1753. Retrieved 2016/10/03.