3-Butyl-2-heptanone

Base Information

• Chemical Name: 3-Butyl-2-heptanone
• CAS No.: 997-69-3
• Molecular Formula: C11H22O
• Molecular Weight: 170.295
• Hs Code.: 2914190090
• European Community (EC) Number: 653-830-6
• NSC Number: 92386
• DSSTox Substance ID: DTXSID10244216
• Nikkaji Number: J1.024.356D
• Wikidata: Q83128520
• Mol file: 997-69-3.mol

Synonyms:3-BUTYL-2-HEPTANONE;3-butylheptan-2-one;997-69-3;2-Heptanone, 3-butyl-;3-(But-1-yl)heptan-2-one;dibutylacetone;NSC92386;2-Heptanone, 3-butyl-,;SCHEMBL9622069;DTXSID10244216;MFCD00027255;NSC 92386;NSC-92386;AKOS006343523;BL001495;CS-0325553;FT-0692092;J-512152

Chemical Property of 3-Butyl-2-heptanone

Chemical Property:

• Vapor Pressure: 0.131mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 217.7 °C at 760 mmHg
• Flash Point: 81.8 °C
• PSA: 17.07000
• Density: 0.82 g/cm³
• LogP: 3.57200
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

3-Butyl-2-heptanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CCCC)C(=O)C

Technology Process of 3-Butyl-2-heptanone

There total 2 articles about 3-Butyl-2-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:

1-bromo-butane (109-65-9) + n-pentyl methyl ketone (110-43-0) → dipentyl ketone (927-49-1) + 3-butylheptan-2-one (997-69-3) + 5-butylundecan-6-one (2903-22-2)

Guidance literature:

With aluminum oxide; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) hexane, RT, 3 h, 2.) hexane, RT, 3 h;

DOI:10.1016/S0022-328X(00)80496-9

Reference yield:

1-iodo-butane (542-69-8) + n-pentyl methyl ketone (110-43-0) → dipentyl ketone (927-49-1) + 3-butylheptan-2-one (997-69-3)

Guidance literature:

Product distribution; Multistep reaction; The regioselectivity of the alkylation of the kinetic mixture of lithium enolates was investigated in the absence or in the presence of different quantity of HMPA_.;

DOI:10.1016/S0040-4039(00)98562-9

Reference yield:

3-butylheptan-2-one (997-69-3) → 5-ethylnonane (17302-12-4)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

upstream raw materials:

1-iodo-butane

n-pentyl methyl ketone

1-bromo-butane

Downstream raw materials:

5-ethylnonane

Refernces

• 1、 Savoia, Diego,Tagliavini, Emilio,Trombini, Claudio,Umani-Ronchi, Achille. "HIGHLY DISPERSED POTASSIUM ON ALUMINA AS A METALATING AGENT. ALKYLATION OF ENOLIZABLE COMPOUNDS". . p. 281 - 286. Retrieved 2007/10/02.