3-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-isopropoxy-5-methoxybenzaldehyde
• CAS No.: 400070-31-7
• Molecular Formula: C₁₁H₁₃BrO₃
• Molecular Weight: 273.126
• DSSTox Substance ID: DTXSID60352794
• Wikidata: Q82130148
• Mol file: 400070-31-7.mol

Synonyms:3-bromo-4-isopropoxy-5-methoxybenzaldehyde;400070-31-7;3-bromo-5-methoxy-4-propan-2-yloxybenzaldehyde;3-bromo-5-methoxy-4-(propan-2-yloxy)benzaldehyde;MFCD02256544;F3099-6653;DTXSID60352794;BBL013686;STK346830;AKOS000273733;VS-03939;BB 0243287;CS-0274556;3-Bromo-4-isopropoxy-5-methoxy-benzaldeh yde;EN300-227989;3-Bromo-4-isopropoxy-5-methoxybenzaldehyde, AldrichCPR

Chemical Property of 3-Bromo-4-isopropoxy-5-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Melting Point: 41-42 °C(Solv: hexane (110-54-3))
• Boiling Point: 335.0±37.0 °C(Predicted)
• Density: 1.374±0.06 g/cm3(Predicted)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 272.00481
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromo-4-isopropoxy-5-methoxybenzaldehyde Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=C(C=C(C=C1Br)C=O)OC

Technology Process of 3-Bromo-4-isopropoxy-5-methoxybenzaldehyde

There total 1 articles about 3-Bromo-4-isopropoxy-5-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%

5-bromo-4-hydroxy-3-methoxybenzaldehyde (2973-76-4) + isopropyl bromide (75-26-3) → 3-bromo-4-isopropyloxy-5-methoxybenzaldehyde (400070-31-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1080/00397910600616693

Reference yield:

3-bromo-4-isopropyloxy-5-methoxybenzaldehyde (400070-31-7) → formic acid 3-bromo-4-isopropoxy-5-methoxy-phenyl ester

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; Heating;

DOI:10.1080/00397910600616693

Reference yield:

3-bromo-4-isopropyloxy-5-methoxybenzaldehyde (400070-31-7) → 3-bromo-4-isopropyloxy-5-methoxyphenol (905811-33-8)

Guidance literature:

Multi-step reaction with 2 steps

1: m-chloroperbenzoic acid / CH₂Cl₂ / Heating

2: 23.85 g / potassium hydroxide / H₂O

With potassium hydroxide; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; water; 1: Baeyer-Villiger oxidation;

DOI:10.1080/00397910600616693

upstream raw materials:

5-bromo-4-hydroxy-3-methoxybenzaldehyde

isopropyl bromide

Downstream raw materials:

3-bromo-4-isopropyloxy-5-methoxyphenol

2-isopropyloxy-3,5-dimethoxybromobenzene

1,2-dibromo-4,6-dimethoxy-3-isopropyloxybenzene

Refernces