5-(Dimethylamino)pentan-2-one

Base Information

• Chemical Name: 5-(Dimethylamino)pentan-2-one
• CAS No.: 43018-61-7
• Molecular Formula: C7H15NO
• Molecular Weight: 129.20000
• Hs Code.: 2922399090
• European Community (EC) Number: 692-230-9
• DSSTox Substance ID: DTXSID50379793
• Wikidata: Q82169756
• ChEMBL ID: CHEMBL2448874
• Mol file: 43018-61-7.mol

Synonyms:5-(dimethylamino)pentan-2-one;43018-61-7;5-(dimethylamino)-2-pentanone;5-dimethylamino-pentan-2-one;MFCD00048233;5-DIMETHYLAMINOPENTANONE-2;5-dimethylaminopentan-2-one;2-Pentanone, 5-(dimethylamino)-;SCHEMBL805274;CHEMBL2448874;DTXSID50379793;HCRLXYVAWDRFBV-UHFFFAOYSA-N;N,N-dimethyl-5-amino-2-pentanone;AC6136;AKOS009158324;AS-5957;SY147772;5-(Dimethylamino)-2-pentanone, AldrichCPR;FT-0761233;EN300-130479;A918761;J-516339

Chemical Property of 5-(Dimethylamino)pentan-2-one

Chemical Property:

• Vapor Pressure: 1.32mmHg at 25°C
• Boiling Point: 172.5oC at 760 mmHg
• PKA: 9.43±0.28(Predicted)
• Flash Point: 45.5oC
• PSA: 20.31000
• Density: 0.87g/cm3
• LogP: 0.91720
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 88.9

Purity/Quality:

99% ^*data from raw suppliers

5-(Dimethylamino)pentan-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CCCN(C)C

Technology Process of 5-(Dimethylamino)pentan-2-one

There total 6 articles about 5-(Dimethylamino)pentan-2-one 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:

N,N-dimethylpent-4-enylamine (1001-91-8) → 1-N,N-dimethylaminopentan-4-one (43018-61-7) + N,N-dimethylaminopentan-3-one (22104-65-0)

Guidance literature:

With hydrogenchloride; oxygen; sodium chloride; copper dichloride; palladium dichloride; In water; at 60 ℃; for 6h;

DOI:10.1021/ja00361a023

Reference yield:

5-chloro-2-pentanone (5891-21-4) + N,N-dimethylammonium chloride (506-59-2) → 1-N,N-dimethylaminopentan-4-one (43018-61-7)

Guidance literature:

With ammonium hydroxide; potassium carbonate; In methanol; acetonitrile;

Reference yield:

2-(2-dimethylamino-ethyl)-acetoacetic acid ethyl ester (40065-16-5) → 1-N,N-dimethylaminopentan-4-one (43018-61-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01151a032

upstream raw materials:

2-(2-dimethylamino-ethyl)-acetoacetic acid ethyl ester

bromo-5-pentanone-2

dimethyl amine

acetonitrile

Downstream raw materials:

5-dimethylamino-pentan-2-one oxime

Acetic acid N-(4-dimethylamino-1-methyl-butyl)-N'-isopropylidene-hydrazide

N-[3-(2-dimethylaminoethyl)-2-methyl-1H-indol-5-yl]-4-fluorobenzamide

(4-oxopentyl)trimethylammonium iodide

Refernces

• 1、 -. "Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis". . . Retrieved 2008/06/13.
• 2、 De Amici,De Micheli,Pratesi,Toma,Grana,Santagostino-Barbone. "Synthesis, biological activity and conformational analysis of some acyclic cholinergic ligands". . p. 921 - 930. Retrieved 2007/10/02.