2-Ethylacrolein

Base Information

• Chemical Name: 2-Ethylacrolein
• CAS No.: 922-63-4
• Molecular Formula: C5H8 O
• Molecular Weight: 84.1179
• Hs Code.: 2912190090
• European Community (EC) Number: 213-079-3
• DSSTox Substance ID: DTXSID1029205
• Nikkaji Number: J153.966C
• Wikidata: Q72472213
• ChEMBL ID: CHEMBL4085512
• Mol file: 922-63-4.mol

Synonyms:2-ethylacrolein;alpha-ethylacrolein

Chemical Property of 2-Ethylacrolein

Chemical Property:

• Vapor Pressure: 51.5mmHg at 25°C
• Melting Point: -101.15°C (estimate)
• Refractive Index: 1.425
• Boiling Point: 92-93 ºC
• Flash Point: 1 ºC
• PSA: 17.07000
• Density: 0.859
• LogP: 1.15150
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in alcohol. Insoluble in water.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 84.057514874
• Heavy Atom Count: 6
• Complexity: 64.3

Purity/Quality:

98% ^*data from raw suppliers

2-Ethylacrolein ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCC(=C)C=O
• Uses: 2-Ethylacrolein has been used in total synthesis of (+/-)-tabersonine, Aspidosperma alkaloid and synthesis of conjugate with bovine serum albumin tethered to Tn.

Technology Process of 2-Ethylacrolein

There total 22 articles about 2-Ethylacrolein 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: 94.5%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + butyraldehyde (123-72-8) → ethylacrolein (922-63-4)

Guidance literature:

With tris(pentafluorophenyl)borate; dibutylamine; at 40 - 60 ℃; for 2h; Time;

Reference yield: 85.2%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-ethyl-3-hydroxypropanal (38433-81-7) → ethylacrolein (922-63-4) + 2,2-dimethylolbutanal (41966-25-0)

Guidance literature:

With sodium hydroxide; In water; at 20 - 70 ℃; Reagent/catalyst; Kinetics;

DOI:10.1021/op000008t

Reference yield: 67.8%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + butyraldehyde (123-72-8) → ethylacrolein (922-63-4) + 2,2-dimethylolbutanal (41966-25-0)

Guidance literature:

With sodium carbonate; sodium dodecyl-sulfate; In water; at 60 ℃; for 1h; Product distribution / selectivity;

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

2-Methylene-1-butanol

2-dimethylaminomethyl-butyraldehyde

1-ethoxy-2-ethoxymethyl-butan-2-ol

Downstream raw materials:

α-ethylacrolein 2,4-dinitrophenylhydrazone

3-ethyl quinoline

formaldehyd

ethylglyoxal

Refernces

• 1、 -. "ODORANTS AND COMPOSITIONS COMPRISING ODORANTS". Page/Page column 24. . Retrieved 2021/10/22.
• 2、 Dong, Kaiwu,Li, Huimin,Ren, Xinyi,Shen, Chaoren,Tang, Lin,Wang, Peng. "Enantioselective hydroesterificative cyclization of 1,6-enynes to chiral γ-lactams bearing a quaternary carbon stereocenter". supporting information. p. 3561 - 3566. Retrieved 2021/05/29.