5-Diethylamino-2-pentanone

Base Information

• Chemical Name: 5-Diethylamino-2-pentanone
• CAS No.: 105-14-6
• Molecular Formula: C9H19 N O
• Molecular Weight: 157.256
• Hs Code.: 2922399090
• European Community (EC) Number: 203-274-1
• NSC Number: 6320
• UNII: 7T3TWL8CA7
• DSSTox Substance ID: DTXSID2021862
• Nikkaji Number: J49.706A
• Wikidata: Q72469152
• Mol file: 105-14-6.mol

Synonyms:5-Diethylamino-2-pentanone;105-14-6;5-(diethylamino)pentan-2-one;Novol ketone;2-PENTANONE, 5-(DIETHYLAMINO)-;Novalketone;1-(Diethylamino)-4-pentanone;5-(Diethylamino)-2-pentanone;5-(N,N-Diethylamino)pentan-2-one;DF 493;5-Diethylaminopentan-2-one;AI3-08706;NSC 6320;EINECS 203-274-1;BRN 1749398;NSC-6320;MFCD00009058;4-04-00-01935 (Beilstein Handbook Reference);5-Diethylaminopentane-2-one;1-diethylaminopentan-4-on;5-diethylaminopentan-2-on;7T3TWL8CA7;5-diethylamino-pentan-2-one;SCHEMBL164414;DTXSID2021862;NSC6320;WLN: 2N2 & 3V1;AKOS009158376;DS-3258;SB75757;SY113877;LS-101940;AM20070700;CS-0152027;FT-0631581;F16219

Chemical Property of 5-Diethylamino-2-pentanone

Chemical Property:

• Appearance/Colour: Colorless needles.
• Vapor Pressure: 0.431mmHg at 25°C
• Refractive Index: n20/D 1.434(lit.)
• Boiling Point: 83-85 ºC (15 mmHg)
• PKA: 10.27±0.25(Predicted)
• Flash Point: 65 ºC
• PSA: 20.31000
• Density: 0.861
• LogP: 1.69740
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 108

Purity/Quality:

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

5-Diethylamino-2-pentanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCCC(=O)C
• Uses: Pharmaceuticals.

Technology Process of 5-Diethylamino-2-pentanone

There total 8 articles about 5-Diethylamino-2-pentanone 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: 68.0%

5-chloro-2-pentanone (5891-21-4) + diethylamine (109-89-7) → 5-diethylamino-2-pentanone (105-14-6)

Guidance literature:

In acetonitrile; for 12h; Heating;

DOI:10.1021/jm030038x

Reference yield:

2-(diethylamino)ethyl chloride (100-35-6) → 5-diethylamino-2-pentanone (105-14-6)

Guidance literature:

Reference yield:

methyl 4-(diethylamino)butanoate (90726-85-5) + acetic anhydride (108-24-7) → 5-diethylamino-2-pentanone (105-14-6)

Guidance literature:

Heating;

DOI:10.1021/ja01474a024

upstream raw materials:

5-diethylamino-pent-3-en-2-one

3-Ethoxycarbonyl-N,N-diethyl-4-oxopentylamine

5-chloro-2-pentanone

diethylamine

Downstream raw materials:

5-diethylaminopentan-2-ol

5-diethylamino-2-pentylamine

bis-(4-diethylamino-1-methyl-butyl)-amine

1-Diaethylamino-4,4-diaethoxypentan

Refernces

• 1、 Cheruku, Srinivasa R.,Maiti, Souvik,Dorn, Arnulf,Scorneaux, Bernard,Bhattacharjee, Apurba K.,Ellis, William Y.,Vennerstrom, Jonathan L.. "Carbon isosteres of the 4-aminopyridine substructure of chloroquine: Effects on pKa, hematin binding, inhibition of hemozoin formation, and parasite growth". . p. 3166 - 3169. Retrieved 2003.