5-Bromo-2-(hexyloxy)benzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-(hexyloxy)benzaldehyde
• CAS No.: 610322-33-3
• Molecular Formula: C13H17BrO2
• Molecular Weight: 285.181
• DSSTox Substance ID: DTXSID60393602
• Wikidata: Q82192412
• Mol file: 610322-33-3.mol

Synonyms:610322-33-3;5-BROMO-2-(HEXYLOXY)BENZALDEHYDE;5-Bromo-2-n-hexyloxybenzaldehyde;Benzaldehyde, 5-bromo-2-(hexyloxy)-;SCHEMBL13581076;DTXSID60393602;AKOS005291369;5-Bromo-2-(hexyloxy)benzaldehyde, AldrichCPR

Chemical Property of 5-Bromo-2-(hexyloxy)benzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 4.22070
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 284.04119
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

5-Bromo-2-(hexyloxy)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=C(C=C(C=C1)Br)C=O

Technology Process of 5-Bromo-2-(hexyloxy)benzaldehyde

There total 1 articles about 5-Bromo-2-(hexyloxy)benzaldehyde 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: 92.0%

1-bromo-hexane (111-25-1) + 5-bromosalicyclaldehyde (1761-61-1) → 2-hexyloxy-5-bromobenzaldehyde (610322-33-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃;

DOI:10.1021/ja501417g

Reference yield: 99.0%

2-hexyloxy-5-bromobenzaldehyde (610322-33-3) → 5-bromo-2-hexyloxyphenol

Guidance literature:

With ammonia; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;

DOI:10.1039/c4ra06503d

Reference yield: 86.0%

trimethylsilylacetylene (1066-54-2) + 2-hexyloxy-5-bromobenzaldehyde (610322-33-3) → 2-(hexyloxy)-5-((trimethylsilyl)ethynyl)benzaldehyde (1599477-35-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In tetrahydrofuran; at 80 ℃; for 30h; Inert atmosphere;

DOI:10.1021/ja501417g

upstream raw materials:

1-bromo-hexane

5-bromosalicyclaldehyde

Downstream raw materials:

(E)-3-(5-Bromo-2-hexyloxy-phenyl)-1-(4-bromo-phenyl)-propenone

2,5-bis-(5-bromo-2-hexyloxy-phenyl)-thiazolo[5,4-d]thiazole

5-(5-bromo-2-hexyloxy-phenyl)-3-(4-bromo-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole

C₇₄H₅₅N₉O₂