4-Propylbenzaldehyde

Base Information

• Chemical Name: 4-Propylbenzaldehyde
• CAS No.: 28785-06-0
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• Hs Code.: 2912299000
• European Community (EC) Number: 249-221-6
• UNII: AFA5SA2NA5
• DSSTox Substance ID: DTXSID6067412
• Nikkaji Number: J54.847B
• Wikidata: Q72502609
• Mol file: 28785-06-0.mol

Synonyms:4-Propylbenzaldehyde;28785-06-0;4-n-Propylbenzaldehyde;Benzaldehyde, 4-propyl-;p-Propylbenzaldehyde;4-Propylbenzaldehyd;Benzaldehyde, p-propyl-;BRN 2206736;EINECS 249-221-6;AFA5SA2NA5;2-07-00-00246 (Beilstein Handbook Reference);4-PropYl-Benzaldehyde;4-Propyl-benzaldehyd;4-propyl benzaldehyde;p-n-propylbenzaldehyde;p-Propyl-benzaldehyde, e;UNII-AFA5SA2NA5;1-Formyl-4-propylbenzene;4-Propylbenzaldehyde, 95%;SCHEMBL493764;DTXSID6067412;BDBM85651;(4-PROPYLPHENYL)METHANONE;4-(N-PROPYL)BENZALDEHYDE;CK1040;MFCD00041870;AKOS009075840;CS-W017745;DS-4247;LS-25153;FT-0638809;EN300-22062;J-017259;Z147641436

Chemical Property of 4-Propylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0391mmHg at 25°C
• Melting Point: 19 °C
• Refractive Index: n20/D 1.532(lit.)
• Boiling Point: 239.907 °C at 760 mmHg
• Flash Point: 96.544 °C
• PSA: 17.07000
• Density: 0.985 g/cm³
• LogP: 2.45160
• Storage Temp.: 2-8°C
• Solubility.: Acetone (Slightly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

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

4-N-Propylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C=O
• Uses: 4-n-Propylbenzaldehyde (cas# 28785-06-0) is a useful reagent for Lewis acid promoted, synthesis of fluoroquinolone clubbed 1,3,4-thiadiazole motifs.

Technology Process of 4-Propylbenzaldehyde

There total 17 articles about 4-Propylbenzaldehyde 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: 100.0%

2-(4-propyl-phenyl)-[1,3]dioxolane → 4-n-propylbenzaldehyde (28785-06-0)

Guidance literature:

sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In water; at 30 ℃; for 0.0833333h;

DOI:10.1055/s-2007-968009

Reference yield: 94.0%

4-n-propylbenzaldehyde diethyl acetal (89557-35-7) → 4-n-propylbenzaldehyde (28785-06-0)

Guidance literature:

In(OSO₂CF₃)3; In acetone; at 20 ℃; for 0.5h;

DOI:10.1021/jo0707075

Reference yield: 80.0%

1-propyl-1,3,5,7-cyclooctatetraene (13402-36-3) → 4-n-propylbenzaldehyde (28785-06-0) + o-propylbenzaldehyde (59059-44-8) + m-propylbenzaldehyde (103528-31-0)

Guidance literature:

With oxygen; copper(l) chloride; palladium dichloride; In tetrahydrofuran; water; at 60 ℃; for 6h;

DOI:10.1007/BF00953429

upstream raw materials:

1-(Chloromethyl)-4-propylbenzene

oxalyl dichloride

phenylpropane

Dichloromethyl methyl ether

Downstream raw materials:

(4-Phenoxy-phenyl)-(4-propyl-phenyl)-amine

Isothiazol-5-yl-(4-propyl-phenyl)-methanol

(E)-3-(4-n-propylphenyl)acrylic acid

(2R,4aR,6S,8aS)-6-Pentyl-2-(4-propyl-phenyl)-hexahydro-benzo[1,3]dioxine

Refernces

• 1、 Gaster, Eden,Kozuch, Sebastian,Pappo, Doron. "Selective Aerobic Oxidation of Methylarenes to Benzaldehydes Catalyzed by N-Hydroxyphthalimide and Cobalt(II) Acetate in Hexafluoropropan-2-ol". supporting information. p. 5912 - 5915. Retrieved 2017/05/12.
• 2、 -. "PRODUCTION OF PARA-PROPYLBENZALDEHYDE". Paragraph 0057. . Retrieved 2016/03/12.