2-Butoxybenzaldehyde

Base Information

• Chemical Name: 2-Butoxybenzaldehyde
• CAS No.: 7091-13-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2912499000
• NSC Number: 69087
• DSSTox Substance ID: DTXSID50290515
• Wikidata: Q82028228
• Mol file: 7091-13-6.mol

Synonyms:2-butoxybenzaldehyde;7091-13-6;benzaldehyde, 2-butoxy-;butylsalicylaldehyde;NSC69087;2-butoxy-benzaldehyde;NCIOpen2_000331;SCHEMBL195416;DTXSID50290515;BBL037391;MFCD02257368;NSC 69087;NSC-69087;STK348910;AKOS000249594;VS-14122;CS-0264213;EN300-92328;Z57887827

Chemical Property of 2-Butoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00363mmHg at 25°C
• Boiling Point: 281.1°C at 760 mmHg
• Flash Point: 119.1°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 2.67800
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

2-butoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC=C1C=O

Technology Process of 2-Butoxybenzaldehyde

There total 5 articles about 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: 96.0%

1-bromo-butane (109-65-9) + salicylaldehyde (90-02-8) → 2-butoxy-benzaldehyde (7091-13-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.202001586

Reference yield: 95.0%

2-butyloxybenzyl alcohol (6513-49-1) → 2-butoxy-benzaldehyde (7091-13-6)

Guidance literature:

With hydrogen bromide; dimethyl sulfoxide; at 100 ℃; for 3h;

DOI:10.1055/s-2002-35563

Reference yield: 92.0%

2-butoxybenzyl chloride (117721-69-4) → 2-butoxy-benzaldehyde (7091-13-6)

Guidance literature:

With dihydrogen peroxide; trimethylamine; In water; for 0.333333h; Reflux;

DOI:10.1080/00397910903531623

upstream raw materials:

1-bromo-butane

salicylaldehyde

1-iodo-butane

butyl para-toluenesulfonate

Downstream raw materials:

2-butoxy-benzaldehyde-semicarbazone

(2-Butoxy-phenyl)-(3-methyl-isothiazol-5-yl)-methanol

2-butyloxybenzyl alcohol