4-Butoxybenzaldehyde

Base Information

• Chemical Name: 4-Butoxybenzaldehyde
• CAS No.: 5736-88-9
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 29124990
• European Community (EC) Number: 227-247-9
• NSC Number: 508762
• UNII: 8OP1TZF294
• DSSTox Substance ID: DTXSID5063992
• Nikkaji Number: J30.713K
• Wikidata: Q63395842
• Mol file: 5736-88-9.mol

Synonyms:4-Butoxybenzaldehyde;5736-88-9;p-Butoxybenzaldehyde;Benzaldehyde, 4-butoxy-;4-n-Butoxybenzaldehyde;Benzaldehyde, p-butoxy-;4-butoxy-benzaldehyde;8OP1TZF294;EINECS 227-247-9;MFCD00003389;NSC 508762;NSC-508762;AI3-05712;p-n-butoxybenzaldehyde;4-n-butyloxybenzaldehyde;NSC508762;p-(n-Butoxy)benzaldehyde;4-Butoxybenzaldehyde, 98%;UNII-8OP1TZF294;SCHEMBL510500;DTXSID5063992;BBL027438;STK347137;AKOS000202195;AM10784;CS-W017324;DS-18354;B0126;FT-0617931;EN300-18312;H11893;A831410;Q63395842;Z57887685

Chemical Property of 4-Butoxybenzaldehyde

Chemical Property:

• Appearance/Colour: clear orange-red liquid.
• Melting Point: 184 °C
• Refractive Index: n20/D 1.539(lit.)
• Boiling Point: 287.7 °C at 760 mmHg
• Flash Point: 123.8 °C
• PSA: 26.30000
• Density: 1.02 g/cm³
• LogP: 2.67800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 137

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-butoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: CCCCOC1=CC=C(C=C1)C=O
• Uses: 4-Butoxybenzaldehyde has been used in the synthesis of:6-amino-4-(4-butoxyphenyl)-3,5-dicyanopyridine-2(1H)-thione16-(p-butoxybenzylidene)androsta-1,4-diene-3,17-dione via condensation reaction with androsta-1,4-diene-3,17-dione

Technology Process of 4-Butoxybenzaldehyde

There total 17 articles about 4-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: 97.0%

1-bromo-butane (109-65-9) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → p-butoxybenzaldehyde (5736-88-9)

Guidance literature:

1-bromo-butane; 4-hydroxy-benzaldehyde; In N,N-dimethyl-formamide; for 0.333333h; Inert atmosphere;

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 20h; Inert atmosphere;

DOI:10.1021/ja508963v

Reference yield: 97.0%

(4-buthoxyphenyl)(1,2,3,4,5-pentamethyl-2,4-cyclopentadienyl)methanol (862387-21-1) → 1,2,3,4,5-pentamethylcyclopentadiene (4045-44-7) + p-butoxybenzaldehyde (5736-88-9)

Guidance literature:

In toluene; at 110 ℃; for 3h;

DOI:10.1016/j.tet.2006.01.097

Reference yield: 92.0%

4-bromo-benzaldehyde (1122-91-4) + butan-1-ol (71-36-3) → p-butoxybenzaldehyde (5736-88-9)

Guidance literature:

With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 80 ℃; for 12h; Inert atmosphere; Sealed tube; UV-irradiation;

DOI:10.1002/anie.202003359

upstream raw materials:

hexamethylenetetramine

1-butoxy-4-(chloromethyl)benzene

1-bromo-butane

4-hydroxy-benzaldehyde

Downstream raw materials:

4'-n-butoxybenzylidene-4-nitroaniline

4-n-butoxybenzylidene-4'-bromoaniline

[1-(4-Butoxy-phenyl)-meth-(Z)-ylidene]-(2-methyl-4-octyloxy-phenyl)-amine

1-(4-Butyloxybenzyl)-2-acetyl-hydrazin

Refernces

• 1、 Liu, Shuai,Liu, Zhong-Quan,Shen, Tong,Shen, Xu,Wang, Nengyong,Wu, Jintao,Yang, Le,Zhao, Jianyou. "Electrochemical Aerobic Oxidative Cleavage of (sp3)C-C(sp3)/H Bonds in Alkylarenes". . p. 3286 - 3295. Retrieved 2022/03/14.
• 2、 Banerjee, Prabal,Maajid Taily, Irshad,Saha, Debarshi. "Electricity Driven 1,3-Oxohydroxylation of Donor-Acceptor Cyclopropanes: a Mild and Straightforward Access to β-Hydroxy Ketones". supporting information. p. 5053 - 5057. Retrieved 2021/09/30.