3-Amino-1-(piperidin-1-yl)propan-1-one

Base Information

• Chemical Name: 3-Amino-1-(piperidin-1-yl)propan-1-one
• CAS No.: 161862-09-5
• Molecular Formula: C₈H₁₆N₂O
• Molecular Weight: 156.228
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40424564
• Wikidata: Q82237196
• Mol file: 161862-09-5.mol

Synonyms:3-amino-1-(piperidin-1-yl)propan-1-one;161862-09-5;3-Amino-1-piperidin-1-yl-propan-1-one;3-amino-1-piperidin-1-ylpropan-1-one;1-Propanone, 3-amino-1-(1-piperidinyl)-;SCHEMBL6694116;DTXSID40424564;AKOS000112521;SB41203;BB 0241856;FT-0681760;EN300-43310;F21072;3-amino-1-piperidin-1-yl-propan-1-one, AldrichCPR;J-009868;Z241054230

Chemical Property of 3-Amino-1-(piperidin-1-yl)propan-1-one

Chemical Property:

• PSA: 46.33000
• LogP: 0.98590
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.126263138
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-1-(piperidin-1-yl)propan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)CCN

Technology Process of 3-Amino-1-(piperidin-1-yl)propan-1-one

There total 3 articles about 3-Amino-1-(piperidin-1-yl)propan-1-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:

C16H22N2O3 → 3-amino-1-(piperidin-1-yl)propan-1-one (161862-09-5)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1021/acs.orglett.9b00366

Reference yield:

tert-Butyl 3-Oxo-3-(piperidin-1-yl)propylcarbamate → 3-amino-1-(piperidin-1-yl)propan-1-one (161862-09-5)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane;

DOI:10.1021/acs.orglett.0c00124

Reference yield:

piperidine (110-89-4) → 3-amino-1-(piperidin-1-yl)propan-1-one (161862-09-5)

Guidance literature:

Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / N,N-dimethyl-formamide / 25 °C

2: hydrogenchloride / 1,4-dioxane

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/acs.orglett.0c00124

upstream raw materials:

piperidine