2,2-Diethylbutanal

Base Information

• Chemical Name: 2,2-Diethylbutanal
• CAS No.: 26254-89-7
• Molecular Formula: C8H16O
• Molecular Weight: 128.21200
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID1051935
• Nikkaji Number: J2.347.752A
• Wikidata: Q81984874
• Mol file: 26254-89-7.mol

Synonyms:2,2-Diethylbutanal;26254-89-7;Butanal, 2,2-diethyl-;Butyraldehyde, 2,2-diethyl-;2,2-Diethylbutanal #;2,2-Diethylbutyraldehyde;SCHEMBL1254908;SCHEMBL8463215;DTXSID1051935;BBA25489;AKOS006276432;EN300-129722

Chemical Property of 2,2-Diethylbutanal

Chemical Property:

• Vapor Pressure: 2.38mmHg at 25°C
• Boiling Point: 160.5oC at 760 mmHg
• Flash Point: 41.5oC
• PSA: 17.07000
• Density: 0.811g/cm3
• LogP: 2.40170
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 74.3

Purity/Quality:

99% ^*data from raw suppliers

2,2-diethylbutanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(CC)C=O

Technology Process of 2,2-Diethylbutanal

There total 7 articles about 2,2-Diethylbutanal 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:

2-Ethylbutyraldehyde (97-96-1) + ethyl iodide (75-03-6) → 2,2-diethylbutyraldehyde (26254-89-7)

Guidance literature:

Multistep reaction; (i) nBu₃SnOMe, Et₂O, (ii) /BRN= 505934/;

DOI:10.1016/S0022-328X(00)82070-7

Reference yield:

2,2-diethyl-N-methoxy-N-methylbutyramide (903502-67-0) → 2,2-diethylbutyraldehyde (26254-89-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at -78 - 20 ℃;

DOI:10.1021/jo0603983

Reference yield:

triethylacetic acid (813-58-1) → 2,2-diethylbutyraldehyde (26254-89-7)

Guidance literature:

With dimethylsulfide borane complex; pyridinium chlorochromate; Yield given. Multistep reaction; 1) diethyl ether, 3 h, reflux, 2)CH₂Cl₂, 2.5 h, reflux;

DOI:10.1021/jo00034a034

upstream raw materials:

2-Ethylbutyraldehyde

ethyl iodide

N-cyclohexyl-2-ethylbutan-1-imine

triethylacetic acid