(Dimethylamino)acetone

Base Information

• Chemical Name: (Dimethylamino)acetone
• CAS No.: 15364-56-4
• Molecular Formula: C5H11 N O
• Molecular Weight: 101.148
• Hs Code.: 2922399090
• European Community (EC) Number: 239-402-8
• NSC Number: 96617
• DSSTox Substance ID: DTXSID60165386
• Nikkaji Number: J129.454G
• Wikidata: Q83034538
• Mol file: 15364-56-4.mol

Synonyms:(Dimethylamino)acetone;15364-56-4;1-(Dimethylamino)-2-propanone;1-Dimethylaminoacetone;2-Propanone, 1-(dimethylamino)-;1-(dimethylamino)propan-2-one;N,N-Dimethylaminoacetone;1-(Dimethylamino)acetone;EINECS 239-402-8;NSC 96617;AI3-28460;DIMETHYLAMINOACETONE;Dimethylaminoaceton;NSC96617;(dimethylamino)-acetone;Dimethylamino-2-propanone;(CH3)2NCH2COCH3;1-Dimethylamino-2-propanone;1-dimethylamino-propan-2-one;(Dimethylamino)acetone, 98%;SCHEMBL441470;DTXSID60165386;MFCD00008766;NSC-96617;AKOS008964619;BS-22642;CS-0204530;FT-0676586;E80236;(Dimethylamino)acetone, purum, >=98.0% (GC);J-009039

Chemical Property of (Dimethylamino)acetone

Chemical Property:

• Vapor Pressure: 19.6mmHg at 25°C
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 114.8°Cat760mmHg
• PKA: 7.37±0.28(Predicted)
• Flash Point: 30°C
• PSA: 20.31000
• Density: 0.876g/cm³
• LogP: 0.13700
• Storage Temp.: −20°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 68.5

Purity/Quality:

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

1-(Dimethylamino)-2-propanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 10-38
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CN(C)C

Technology Process of (Dimethylamino)acetone

There total 22 articles about (Dimethylamino)acetone 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: 86.6%

1,4-bisacetonyldimethylammonio-2-butene dibromide (125704-60-1) → dimethylaminoacetone (15364-56-4) + N-acetonyl-N-(1,3-butadienyl)dimethylammonium bromide (105775-43-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 25 ℃; for 24h;

Reference yield: 80.8%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → dimethylaminoacetone (15364-56-4) + 3-(dimethylamino)propanal (70058-23-0)

Guidance literature:

With H₆P₂W₁₈O₆₂/Zr-MCM-41; at 300 ℃; for 2h; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.mcat.2018.07.017

Reference yield: 79.0%

dimethyl amine (124-40-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → dimethylaminoacetone (15364-56-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 160 ℃; for 36h; Inert atmosphere; Sealed tube;

upstream raw materials:

N,N-Dimethylpropargylamin

methyl magnesium iodide

N,N-Dimethylamino acetonitrile

dimethyl amine

Downstream raw materials:

1-dimethylamino-2-methyl-propan-2-ol

3-Dimethylamino-4-oxo-2-phenyl-pentanoic acid methyl ester

(S)-1-dimethylamino-2-propanol

(R)-1-(dimethylamino)-2-propanol

Refernces

• 1、 Martin-Smith,Smail,Stenlake. "The possible role of conformational isomerism in the biological actions of acetylcholine: spectral studies.". . p. 649 - 659. Retrieved 1967.
• 2、 Pelckmans, Michiel,Vermandel, Walter,Van Waes, Frederik,Moonen, Kristof,Sels, Bert F.. "Low-Temperature Reductive Aminolysis of Carbohydrates to Diamines and Aminoalcohols by Heterogeneous Catalysis". . p. 14540 - 14544. Retrieved 2017/10/23.