5-Bromo-2-butoxybenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-butoxybenzaldehyde
• CAS No.: 515148-88-6
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID90364481
• Wikidata: Q82148461
• Mol file: 515148-88-6.mol

Synonyms:5-bromo-2-butoxybenzaldehyde;515148-88-6;MFCD02257402;5-Bromo-2-butoxy-benzaldehyde;F3099-5799;SCHEMBL12293415;DTXSID90364481;BBL014085;STK347120;AKOS000113400;VS-04169;BB 0243333;EN300-228121;SR-01000262700;SR-01000262700-1;Z291818428

Chemical Property of 5-Bromo-2-butoxybenzaldehyde

Chemical Property:

• Melting Point: 95-97 °C
• Boiling Point: 331.0±22.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.347±0.06 g/cm3(Predicted)
• LogP: 3.44050
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-butoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-2-butoxybenzaldehyde

There total 2 articles about 5-Bromo-2-butoxybenzaldehyde 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%

Dichloromethyl methyl ether (4885-02-3) + 1-bromo-4-butoxybenzene (39969-57-8) → 5-bromo-2-butoxybenzaldehyde (515148-88-6)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 ℃;

DOI:10.1016/j.bmcl.2009.10.021

Reference yield: 90.0%

1-bromo-butane (109-65-9) + 5-bromosalicyclaldehyde (1761-61-1) → 5-bromo-2-butoxybenzaldehyde (515148-88-6)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

upstream raw materials:

Dichloromethyl methyl ether

1-bromo-4-butoxybenzene

1-bromo-butane

5-bromosalicyclaldehyde

Refernces

• 1、 Kasuga, Jun-ichi,Ishida, Seiichi,Yamasaki, Daisuke,Makishima, Makoto,Doi, Takefumi,Hashimoto, Yuichi,Miyachi, Hiroyuki. "Novel biphenylcarboxylic acid peroxisome proliferator-activated receptor (PPAR) δ selective antagonists". scheme or table. p. 6595 - 6599. Retrieved 2010/06/14.