3-Ethyl-4-heptanone

Base Information

• Chemical Name: 3-Ethyl-4-heptanone
• CAS No.: 1528-25-2
• Molecular Formula: C9H18 O
• Molecular Weight: 142.241
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID4061755
• Nikkaji Number: J421.577J
• Wikidata: Q81989646
• Mol file: 1528-25-2.mol

Synonyms:3-Ethyl-4-heptanone;3-ethylheptan-4-one;1528-25-2;4-Heptanone, 3-ethyl-;3-Ethyl 4-heptanone;4-heptanona, 3-etil-;SCHEMBL9883262;DTXSID4061755;AKOS017516271;FT-0633638

Chemical Property of 3-Ethyl-4-heptanone

Chemical Property:

• Vapor Pressure: 0.913mmHg at 25°C
• Boiling Point: 180°C at 760 mmHg
• Flash Point: 57.6°C
• PSA: 17.07000
• Density: 0.814g/cm³
• LogP: 2.79180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99%min ^*data from raw suppliers

3-ETHYL-4-HEPTANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)C(CC)CC

Technology Process of 3-Ethyl-4-heptanone

There total 8 articles about 3-Ethyl-4-heptanone 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: 37.0%

trifluoromethanesulfonic acid ethyl ester (425-75-2) + acetone (67-64-1) → 4-heptanone (123-19-3) + 3-ethyl-2-pentanone (6137-03-7) + 3-ethylheptan-4-one (1528-25-2)

Guidance literature:

With n-butyllithium; potassium hydride; In diethyl ether;

DOI:10.1021/jo00080a042

Reference yield: 7.0%

4-heptanone (123-19-3) + ethyl iodide (75-03-6) → 3-ethylheptan-4-one (1528-25-2)

Guidance literature:

4-heptanone; With lithium hexamethyldisilazane; In tetrahydrofuran; at -30 ℃; for 0.5h;

ethyl iodide; In tetrahydrofuran; for 2h; Further stages.; Heating;

DOI:10.1021/np0600797

Reference yield:

methanol (67-56-1) → TETRAHYDROPYRANE (142-68-7) + 2-methyloxane (10141-72-7) + 2-ethyltetrahydropyran (3857-14-5) + 2-butyltetrahydropyran (4676-74-8) + pentanal (110-62-3) + ethanol (64-17-5) + methyl 2-methylpentanoate (2177-77-7) + Dimethyl ether (115-10-6,157621-61-9) + 2-methyl-propan-1-ol (78-83-1) + 2,4-dimethyl-3-pentanol (600-36-2) + Methyl formate (107-31-3) + Methyl isobutyrate (547-63-7,133320-07-7,67505-84-4) + butanoic acid methyl ester (623-42-7) + methyl valerate (624-24-8) + 2,4-Dimethyl-3-pentanone (18641-70-8) + 2-methyl-4-heptanone (626-33-5) + 2,4,5-trimethyl-hexan-3-one (23936-98-3) + 3-butyl ketone (19549-84-9) + nonanone-5 (502-56-7) + 3-ethylheptan-4-one (1528-25-2) + acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6) + 2,5-hexanedione (110-13-4) + isobutyraldehyde (78-84-2) + 2,4-dimethylpentan-3-one (565-80-0)

Guidance literature:

Cu-Zn-Mg-Al based catalyst; hydrogen reduced; at 249.84 ℃; Product distribution / selectivity;

upstream raw materials:

4-heptanone

triethyloxonium fluoroborate

chlorure d'acide ethyl-2 butyrique

n-propylmagnesium bromide

Downstream raw materials:

3-ethyl-heptan-4-ol

Refernces

• 1、 Krueckert, Karsten,Flachsbarth, Birte,Schulz, Stefan,Hentschel, Ute,Weldon, Paul J.. "Ethyl-branched aldehydes, ketones, and diketones from caimans (Caiman and Paleosuchus; Crocodylia, Reptilia)". . p. 863 - 870. Retrieved 2008/09/20.