4-Butylbenzaldehyde

Base Information

• Chemical Name: 4-Butylbenzaldehyde
• CAS No.: 1200-14-2
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• European Community (EC) Number: 214-851-2
• UNII: SX6J8M5Z5H
• DSSTox Substance ID: DTXSID0061616
• Nikkaji Number: J150.371E
• Wikidata: Q81989566
• ChEMBL ID: CHEMBL242748
• Mol file: 1200-14-2.mol

Synonyms:4-Butylbenzaldehyde;1200-14-2;Benzaldehyde, 4-butyl-;4-N-BUTYLBENZALDEHYDE;p-Butylbenzaldehyde;butylbenzaldehyde;p-n-Butylbenzaldehyde;SX6J8M5Z5H;EINECS 214-851-2;4-butylbenzaldehyd;4-butyl-benzaldehyde;p-butyl-benzaldehyde, h;UNII-SX6J8M5Z5H;4-Butylbenzaldehyde, 90%;SCHEMBL219423;BENZALDEHYDE, P-BUTYL-;CHEMBL242748;DTXSID0061616;ARIREUPIXAKDAY-UHFFFAOYSA-;BDBM85653;MFCD00040751;AKOS009158600;AS-57770;B1014;FT-0619163;D86806;EN300-200684;A804413;J-004241;Z385369906

Chemical Property of 4-Butylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0142mmHg at 25°C
• Melting Point: -43°C
• Refractive Index: n20/D 1.522(lit.)
• Boiling Point: 250-263 °C(lit.)
• Flash Point: 103.3°C
• PSA: 17.07000
• Density: 0.971g/cm³
• LogP: 2.84170
• Sensitive.: Air Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 123

Purity/Quality:

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

4-Butylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C=O

Technology Process of 4-Butylbenzaldehyde

There total 30 articles about 4-Butylbenzaldehyde 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: 99.1%

4-n-butyl benzaldehyde diethyl acetal (83803-80-9) → 4-(n-butyl)benzaldehyde (1200-14-2)

Guidance literature:

In methanol; water; dimethyl sulfoxide; for 5h; Heating;

DOI:10.1246/cl.1999.901

Reference yield: 98.0%

p-bromobutylbenzene (41492-05-1) + 9-methyl-9H-fluorene-9-carbonyl chloride (82102-37-2) → 4-(n-butyl)benzaldehyde (1200-14-2)

Guidance literature:

With dichloro(1,5-cyclooctadiene)palladium(II); N-Methyldicyclohexylamine; potassium formate; tetra-(n-butyl)ammonium iodide; tricyclohexylphosphine tetrafluoroborate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; at 100 ℃; for 18h; Reagent/catalyst; Solvent; Sealed tube; Glovebox; Inert atmosphere;

DOI:10.1021/jo400741t

Reference yield: 96.0%

butyl[2-(2-hydroxyprop-2-yl)phenyl]diisopropylsilane (1239384-08-7) + 4-bromo-benzaldehyde (1122-91-4) → 3,3-dimethyl-1,1-diisopropyl-1,3-dihydrobenzo[c][1,2]oxasilole (1239384-09-8) + 4-(n-butyl)benzaldehyde (1200-14-2)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II) monohydrate; palladium diacetate; In tetrahydrofuran; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201000816

upstream raw materials:

1-butyl-4-(chloromethyl)benzene

bis(2-chloromethyl)ether

1-butylbenzene

oxalyl dichloride

Downstream raw materials:

(4-Butyl-phenyl)-(3-methyl-isothiazol-5-yl)-methanol

2-(4-Butyl-phenyl)-5-propyl-[1,3]dioxane

2-(4-Butyl-phenyl)-5-propyl-[1,3]dioxane

2-(4-Butyl-phenyl)-5-hexyl-[1,3]dioxane

Refernces

• 1、 Osman, Maged A.. "Synthesis of Unbranched 4-Alkylbenzaldehydes". . p. 2448 - 2449. Retrieved 1982.
• 2、 Eckert, Philip,Organ, Michael G.. "The Role of LiBr and ZnBr2 on the Cross-Coupling of Aryl Bromides with Bu2Zn or BuZnBr". supporting information. p. 15751 - 15754. Retrieved 2019/11/16.
• 3、 Zhang, Yuanyuan,Ye, Wenjing,Leng, Xue,He, Ying,Zhang, Hui,Xiao, Xiao. "Metal-catalyzed formal amidation of alkenes under CO-free condition". supporting information. p. 4203 - 4206. Retrieved 2016/08/24.