2-Piperidinone, 3-amino-3-methyl-

Base Information

• Chemical Name: 2-Piperidinone, 3-amino-3-methyl-
• CAS No.: 64298-90-4
• Molecular Formula: C₆H₁₂N₂O
• Molecular Weight: 128.174
• DSSTox Substance ID: DTXSID90450333
• Mol file: 64298-90-4.mol

Synonyms:64298-90-4;3-AMINO-3-METHYLPIPERIDIN-2-ONE;2-Piperidinone, 3-amino-3-methyl-;SCHEMBL4701726;3-amino-3-methyl-2-piperidone;DTXSID90450333;AKOS006339936;FT-0720672;EN300-1600872

Chemical Property of 2-Piperidinone, 3-amino-3-methyl-

Chemical Property:

• Boiling Point: 289.6±33.0 °C(Predicted)
• PKA: 16.04±0.40(Predicted)
• PSA: 58.61000
• Density: 1.025±0.06 g/cm3(Predicted)
• LogP: 0.59000
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.094963011
• Heavy Atom Count: 9
• Complexity: 135

Purity/Quality:

3-amino-3-methyl-2-Piperidinone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCNC1=O)N

Technology Process of 2-Piperidinone, 3-amino-3-methyl-

There total 5 articles about 2-Piperidinone, 3-amino-3-methyl- 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: 98.0%

tert-butoxycarbonyl-3-amino-3-methyl-piperidin-2-one → 3-amino-3-methyl-piperidin-2-one (64298-90-4,104761-03-7,123979-16-8,124094-92-4)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 0 - 20 ℃;

DOI:10.3762/bjoc.8.105

Reference yield: 63.0%

2-(2-cyanoethyl)alanine methyl ester (81080-74-2,81081-38-1,81081-39-2) → 3-amino-3-methyl-piperidin-2-one (64298-90-4,104761-03-7,123979-16-8,124094-92-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; for 5h; Ambient temperature;

DOI:10.1002/ardp.19893220809

Reference yield:

4-Cyano-2-methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-butyric acid methyl ester (124149-94-6) → 3-amino-3-methyl-piperidin-2-one (64298-90-4,104761-03-7,123979-16-8,124094-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HCl

2: 46 percent / H₂, PtO₂ / 2280 - 4560 Torr

With hydrogenchloride; platinum(IV) oxide; hydrogen;

DOI:10.1248/cpb.42.1157

upstream raw materials:

2-(2-cyanoethyl)alanine methyl ester

4-Cyano-2-methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-butyric acid methyl ester

3-methyl-2-oxopiperidine-3-carboxylic acid

Downstream raw materials:

(R)-2-methylornithin

α-methyl-L-ornithine

N-(3-Methyl-2-oxo-piperidin-3-yl)-phthalamic acid

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