3-Bromo-4-isopropoxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-4-isopropoxybenzaldehyde
• CAS No.: 191602-84-3
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90397057
• Wikidata: Q82198084
• Mol file: 191602-84-3.mol

Synonyms:3-Bromo-4-isopropoxybenzaldehyde;191602-84-3;3-bromo-4-propan-2-yloxybenzaldehyde;3-bromo-4-(propan-2-yloxy)benzaldehyde;Benzaldehyde, 3-bromo-4-(1-methylethoxy)-;Chembrdg-bb 6451701;SCHEMBL3631166;DTXSID90397057;QKKWLPJYKNZGRV-UHFFFAOYSA-N;BBL034346;MFCD02629653;STL385234;AKOS000297867;AS-37254;CS-0196353;FT-0760905;A880367

Chemical Property of 3-Bromo-4-isopropoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00059mmHg at 25°C
• Boiling Point: 310.7°C at 760 mmHg
• Flash Point: 141.7°C
• PSA: 26.30000
• Density: 1.391g/cm³
• LogP: 3.04880
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-4-isopropoxybenzaldehyde ^*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=C1)C=O)Br

Technology Process of 3-Bromo-4-isopropoxybenzaldehyde

There total 4 articles about 3-Bromo-4-isopropoxybenzaldehyde 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: 99.0%

3-bromo-4-hydroxybenzylaldehyde (2973-78-6) + isopropyl bromide (75-26-3) → 3-bromo-4-iso-propoxybenzaldehyde (191602-84-3)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 55 ℃; Inert atmosphere; Industrial scale;

Reference yield: 55.0%

2-iodo-propane (75-30-9) + 3-bromo-4-hydroxybenzylaldehyde (2973-78-6) → 3-bromo-4-iso-propoxybenzaldehyde (191602-84-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-bromo-4-iso-propoxybenzaldehyde (191602-84-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / bromine / CHCl₃ / 12 h / 20 °C

2: 94 percent / potassium carbonate / dimethylsulfoxide / 12 h / 55 °C

With bromine; potassium carbonate; In chloroform; dimethyl sulfoxide;

DOI:10.1021/ol0261635

upstream raw materials:

3-bromo-4-hydroxybenzylaldehyde

isopropyl bromide

4-hydroxy-benzaldehyde

2-iodo-propane

Downstream raw materials:

8-{4-[2-(ethoxycarbonyl-methyl-amino)-ethyl]-2-nitro-phenoxy}-1-[4-(2-isopropoxy-5-methoxycarbonyl-phenoxy)-benzyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester

5-formyl-2-iso-propoxybenzonitrile