3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine

Base Information

• Chemical Name: 3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
• CAS No.: 878657-11-5
• Molecular Formula: C₁₀H₂₂N₂
• Molecular Weight: 170.298
• Hs Code.: 2933399090
• European Community (EC) Number: 830-304-6
• DSSTox Substance ID: DTXSID50424590
• Mol file: 878657-11-5.mol

Synonyms:3-(3,5-dimethylpiperidin-1-yl)propan-1-amine;878657-11-5;3-(3,5-Dimethyl-piperidin-1-yl)-propylamine;SCHEMBL3323093;DTXSID50424590;HMS1704E06;MFCD03030360;STK500393;AKOS000123812;AKOS016345501;SB41295;LS-02582;EN300-41435;Z271005916

Chemical Property of 3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine

Chemical Property:

• PSA: 29.26000
• LogP: 1.95130
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.178298710
• Heavy Atom Count: 12
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

3-(3,5-dimethylpiperidin-1-yl)propan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CN(C1)CCCN)C

Technology Process of 3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine

There total 4 articles about 3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine 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: 94.0%

(±)-3-(trans-3,5-dimethylpiperidin-1-yl)propanenitrile → (±)-3-(trans-3,5-dimethylpiperidin-1-yl)propan-1-amine (878657-11-5)

Guidance literature:

With ammonia; hydrogen; In methanol; at 20 ℃; for 16h; under 11377.6 Torr; Sealed tube;

DOI:10.1021/acs.jmedchem.7b00561

Reference yield: 93.0%

3-(cis-3,5-dimethylpiperidin-1-yl)propanenitrile → 3-((3S,5R)-3,5-dimethylpiperidin-1-yl)propan-1-amine (878657-11-5)

Guidance literature:

With ammonia; hydrogen; In methanol; at 20 ℃; for 16h; under 11377.6 Torr; Sealed tube;

DOI:10.1021/acs.jmedchem.7b00561

Reference yield:

(3S,5R)-3,5-dimethylpiperidine (14446-75-4,32410-46-1,32452-46-3,35794-11-7) → 3-((3S,5R)-3,5-dimethylpiperidin-1-yl)propan-1-amine (878657-11-5)

Guidance literature:

Multi-step reaction with 2 steps

1: formamide / water / 15 h / 20 °C / Cooling with ice

2: ammonia; hydrogen / methanol / 16 h / 20 °C / 11377.6 Torr / Sealed tube

With ammonia; hydrogen; formamide; In methanol; water;

DOI:10.1021/acs.jmedchem.7b00561

upstream raw materials:

(3S,5R)-3,5-dimethylpiperidine

trans-(+/-)-3,5-dimethylpiperidine

Refernces