2-Butoxy-5-chlorobenzaldehyde

Base Information

• Chemical Name: 2-Butoxy-5-chlorobenzaldehyde
• CAS No.: 27590-76-7
• Molecular Formula: C₁₁H₁₃ClO₂
• Molecular Weight: 212.676
• DSSTox Substance ID: DTXSID501308189
• Mol file: 27590-76-7.mol

Synonyms:2-butoxy-5-chlorobenzaldehyde;27590-76-7;2-n-Butoxy-5-chlorobenzaldehyde;DTXSID501308189;CBA59076;BBL034889;STK411885;AKOS003326810;VS-12726;CS-0320566;SR-01000294284;SR-01000294284-1

Chemical Property of 2-Butoxy-5-chlorobenzaldehyde

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.0604073
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1)Cl)C=O

Technology Process of 2-Butoxy-5-chlorobenzaldehyde

There total 2 articles about 2-Butoxy-5-chlorobenzaldehyde 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: 88.0%

1-bromo-butane (109-65-9) + 5-chlorosalicyclaldehyde (635-93-8) → 2-butoxy-5-chlorobenzaldehyde (27590-76-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b01155

Reference yield:

→ 2-butoxy-5-chlorobenzaldehyde (27590-76-7)

Guidance literature:

aus /BRN= 955424/, 1) Hexamethylentetramin u. CH3COOH (+H2O), 3h Kochen lassen, 2) tropfen-weise konz. HCl zugeben und noch 20 min Kochen lassen;

Reference yield: 43.0%

2-butoxy-5-chlorobenzaldehyde (27590-76-7) + 4-(2-aminoethyl)-N-(prop-2-yn-1-yl)benzenesulfonamide → 4-(2-((2-butoxy-5-chlorobenzyl)amino)ethyl)-N-(prop-2-yn-1-yl)benzenesulfonamide

Guidance literature:

2-butoxy-5-chlorobenzaldehyde; 4-(2-aminoethyl)-N-(prop-2-yn-1-yl)benzenesulfonamide; With triethylamine; In methanol; at 20 ℃; for 1h; Inert atmosphere;

With acetic acid; In methanol; at 20 ℃; for 1h; Inert atmosphere;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b01155

upstream raw materials:

1-bromo-butane

5-chlorosalicyclaldehyde