3-Ethylbenzaldehyde

Base Information

• Chemical Name: 3-Ethylbenzaldehyde
• CAS No.: 34246-54-3
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 2912299000
• European Community (EC) Number: 251-896-7
• DSSTox Substance ID: DTXSID90187819
• Nikkaji Number: J287.884D
• Wikidata: Q72472766
• Mol file: 34246-54-3.mol

Synonyms:3-Ethylbenzaldehyde;34246-54-3;m-Ethylbenzaldehyde;Benzaldehyde, 3-ethyl-;3-Ethyl-benzaldehyde;EINECS 251-896-7;SCHEMBL291613;DTXSID90187819;BCP06175;BIS(TRI-N-BUTYLTIN)ITACONATE;CL8323;MFCD09263482;AKOS006331230;CS-W006593;DS-17925;FT-0660037;EN300-96750;Z1198218859

Chemical Property of 3-Ethylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.157mmHg at 25°C
• Refractive Index: 1.548
• Boiling Point: 214.3 °C at 760 mmHg
• Flash Point: 86.6 °C
• PSA: 17.07000
• Density: 1.001 g/cm³
• LogP: 2.06150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

98%min ^*data from raw suppliers

3-Ethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=CC=C1)C=O

Technology Process of 3-Ethylbenzaldehyde

There total 8 articles about 3-Ethylbenzaldehyde 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: 78.0%

triethyl borane (97-94-9) + 3-trifluoromethanesulfonyloxybenzaldehyde (17763-68-7) → 3-ethyl-benzaldehyde (34246-54-3)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate; In tetrahydrofuran; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.200900538

Reference yield: 60.0%

ethene (74-85-1) + m-iodobenzaldehyde (696-41-3) → 3-ethyl-benzaldehyde (34246-54-3)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); N,N,N,N,-tetramethylethylenediamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; water; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 80 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube; Irradiation;

DOI:10.1016/j.chempr.2018.10.006

Reference yield: 49.0%

m-bromobenzoic aldehyde (3132-99-8) + ethene (74-85-1) → 3-ethyl-benzaldehyde (34246-54-3)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); N,N,N,N,-tetramethylethylenediamine; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; water; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 80 ℃; for 24h; under 760.051 Torr; Schlenk technique; Sealed tube; Irradiation;

DOI:10.1016/j.chempr.2018.10.006

upstream raw materials:

(3-ethylphenyl)methanol

m-bromobenzoic aldehyde

triethyl borane

(1-bromoethyl)benzne

Downstream raw materials:

(3-ethylphenyl)methanol

Refernces

• 1、 Nishikawa, Keisuke,Fukuda, Hiroshi,Abe, Masato,Nakanishi, Kazunari,Taniguchi, Tomoya,Nomura, Takashi,Yamaguchi, Chihiro,Hiradate, Syuntaro,Fujii, Yoshiharu,Okuda, Katsuhiro,Shindo, Mitsuru. "Substituent effects of cis-cinnamic acid analogues as plant growh inhibitors". . p. 132 - 147. Retrieved 2014/01/06.
• 2、 Wang, Bing,Sun, Hui-Xia,Sun, Zhi-Hua. "A general and efficient suzuki-miyaura cross-coupling protocol using weak base and no water: The essential mole of acetate". experimental part. p. 3688 - 3692. Retrieved 2009/12/03.