Diacetonamine

Base Information

• Chemical Name: Diacetonamine
• CAS No.: 625-04-7
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 2922399090
• European Community (EC) Number: 210-876-8
• UNII: WI13YZU3HT
• DSSTox Substance ID: DTXSID3060798
• Nikkaji Number: J6.857H
• Wikidata: Q27292650
• Metabolomics Workbench ID: 171951
• Mol file: 625-04-7.mol

Synonyms:diacetonamine

Chemical Property of Diacetonamine

Chemical Property:

• Melting Point: 125-130 °C (dec.)(lit.)
• Refractive Index: 1.4230 (estimate)
• Boiling Point: 169.4 °C at 760 mmHg
• PKA: 8.84±0.25(Predicted)
• Flash Point: 56.2 °C
• PSA: 43.09000
• Density: 0.896 g/cm³
• LogP: 1.40310
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 96.7

Purity/Quality:

98%min ^*data from raw suppliers

Diacetonamine hydrogenoxalate 90% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CC(C)(C)N

Technology Process of Diacetonamine

There total 13 articles about Diacetonamine 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: 75.0%

azido-4 methyl-4 pentanone-2 (41608-07-5) → 4-amino-4-methylpentan-2-one (625-04-7)

Guidance literature:

With dibutyltin; at 15 ℃; for 8h;

DOI:10.1016/S0040-4039(01)81096-0

Reference yield: 27.4%

4-methyl-pent-3-en-2-one (141-79-7) → 4-amino-4-methylpentan-2-one (625-04-7)

Guidance literature:

With ammonium hydroxide; at 45 - 50 ℃; for 4h;

DOI:10.1021/jo00315a020

Reference yield:

acetone (67-64-1) → 2,2,6,6-Tetramethyl-4-piperidone (826-36-8) + 4-hydroxyimino-2,2,6,6-tetramethylpiperidine (4168-79-0) + 4-Hydroxy-4-methyl-2-pentanone (123-42-2) + 2,3-dimethyl-2,3-dinitrobutane (3964-18-9) + 4-amino-4-methylpentan-2-one (625-04-7) + acetone oxime (127-06-0)

Guidance literature:

With ammonia; dihydrogen peroxide; In water; at 69.84 - 74.84 ℃; under 750.075 - 1875.19 Torr; Solvent; Mechanism;

DOI:10.1016/j.molcata.2014.01.003

upstream raw materials:

4-methyl-pent-3-en-2-one

acetone

4-isothiocyanato-4-methylpentan-2-one

azido-4 methyl-4 pentanone-2

Downstream raw materials:

2-acetylamino-2-methyl-4-pentanone

4-methyl-4-salicylidenamino-pentan-2-one

2,2,6,6-Tetramethyl-4-piperidone

4-amino-4-methylpentan-2-ol

Refernces

• 1、 Tian, Jun,Chen, Ligong,Zhang, Chao,Yan, Xilong,Li, Yang. "Effect of Alkali Treatment of HY Zeolite on Continuous Synthesis of Triacetonamine". . p. 1377 - 1381. Retrieved 2015/02/19.
• 2、 Tian, Jun,Chen, Ligong,Zhang, Chao,Yan, Xilong,Li, Yang. "Continuous synthesis of triacetonamine over sulfonic acid-functionalized mesoporous silicas". . p. 17860 - 17865. Retrieved 2014/05/06.