2-Propylacrolein

Base Information

• Chemical Name: 2-Propylacrolein
• CAS No.: 1070-13-9
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2912190090
• European Community (EC) Number: 213-971-2
• UNII: J58BUB22P5
• DSSTox Substance ID: DTXSID40147862
• Nikkaji Number: J217.182A
• Wikidata: Q83013264
• Mol file: 1070-13-9.mol

Synonyms:2-propylacrolein

Chemical Property of 2-Propylacrolein

Chemical Property:

• Vapor Pressure: 8.51mmHg at 25°C
• Boiling Point: 133.3°Cat760mmHg
• Flash Point: 29.1°C
• PSA: 17.07000
• Density: 0.819g/cm³
• LogP: 1.54160
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 74.2

Purity/Quality:

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

2-PROPYLACROLEIN 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=C)C=O

Technology Process of 2-Propylacrolein

There total 6 articles about 2-Propylacrolein 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: 85.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pentanal (110-62-3) → 2-methylidenepentanal (1070-13-9)

Guidance literature:

With pyrrolidine; p-N,N-dimethylaminobenzoic acid; In dichloromethane; water; at 45 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2019.151249

Reference yield: 41.0%

→ 2-methylidenepentanal (1070-13-9)

Guidance literature:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + pentanal (110-62-3) + N,N-dimethylammonium chloride (506-59-2) → 2-methylidenepentanal (1070-13-9)

Guidance literature:

upstream raw materials:

formaldehyd

pentanal

formic acid

1-ethoxy-2-ethoxymethyl-pentan-2-ol

Downstream raw materials:

2-propylacrylic acid

C₉H₁₈N₂

α-Propyl-acrolein-N,N-diaethyl-hydrazon

2-[(phenylsulfanyl)methyl]pentanal

Refernces

• 1、 Yao, Hongliang,Song, Liyan,Liu, Yuan,Tong, Rongbiao. "Cascade Michael addition/cycloketalization of cyclic 1,3-dicarbonyl compounds: Important role of the tethered alcohol of α,β-unsaturated carbonyl compounds on reaction rate and regioselectivity". . p. 8774 - 8785. Retrieved 2014.
• 2、 -. "ODORANTS AND COMPOSITIONS COMPRISING ODORANTS". Page/Page column 26. . Retrieved 2021/10/22.