3-Buten-2-one, 3-ethyl-

Base Information

• Chemical Name: 3-Buten-2-one, 3-ethyl-
• CAS No.: 4359-77-7
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID40336895
• Nikkaji Number: J113.168K
• Wikidata: Q82104368
• Mol file: 4359-77-7.mol

Synonyms:3-Buten-2-one, 3-ethyl-;3-Ethyl-3-butene-2-one;4359-77-7;3-Methylenepentan-2-one;2-Pentanone, 3-methylene-;3-methylidenepentan-2-one;Aethylmethylacrolein;3-Methylene-2-pentanone;3-Ethyl-3-buten-2-one #;DTXSID40336895

Chemical Property of 3-Buten-2-one, 3-ethyl-

Chemical Property:

• Boiling Point: 132.5-133.5 °C(Press: 752 Torr)
• PSA: 17.07000
• Density: 0.91915 g/cm3
• LogP: 1.54160
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 92.4

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C)C(=O)C

Technology Process of 3-Buten-2-one, 3-ethyl-

There total 14 articles about 3-Buten-2-one, 3-ethyl- 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: 93.0%

2-bromobutene (23074-36-4) + N-Methoxy-N-methylacetamide (78191-00-1) → 3-ethyl-3-buten-2-one (4359-77-7)

Guidance literature:

2-bromobutene; With tert.-butyl lithium; In diethyl ether; pentane; at -78 ℃; for 1.33333h;

N-Methoxy-N-methylacetamide; In diethyl ether; pentane; at -78 ℃; for 1h;

DOI:10.1021/ja310718f

Reference yield:

4-acetoxy-3-ethyl-2-butanone (1015170-68-9) → 3-ethyl-3-buten-2-one (4359-77-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 0.25h;

Reference yield:

3-ethyl-4-hydroxy-2-butanone (99115-96-5) → 3-ethyl-3-buten-2-one (4359-77-7)

Guidance literature:

With zinc(II) chloride;

upstream raw materials:

3-ethyl-4-hydroxy-2-butanone

3-(dimethylamino-methyl)-pentan-2-one

2-ethyl-N,N,N-trimethyl-3-oxobutan-1-aminium iodide

(2-ethyl-2-methoxycarbonyl-3-oxo-butyl)-trimethyl-ammonium; iodide

Downstream raw materials:

3-Methylen-pentanon-(2)-semicarbazon

(3R)-(+)-3-methylpentan-2-ol

-3-methylpentan-2-one

3,4-epoxy-3-ethyl- 2-Butanone

Refernces

• 1、 Kruegel, Andrew C.,Gassaway, Madalee M.,Kapoor, Abhijeet,Váradi, András,Majumdar, Susruta,Filizola, Marta,Javitch, Jonathan A.,Sames, Dalibor. "Synthetic and Receptor Signaling Explorations of the Mitragyna Alkaloids: Mitragynine as an Atypical Molecular Framework for Opioid Receptor Modulators". supporting information. p. 6754 - 6764. Retrieved 2016/06/14.
• 2、 -. "SULFONYLPYRAZOLE AND SULFONYLPYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS". Page/Page column 25. . Retrieved 2008/06/13.