2-(3,5-Dimethylpiperidin-1-yl)ethanamine

Base Information

• Chemical Name: 2-(3,5-Dimethylpiperidin-1-yl)ethanamine
• CAS No.: 876716-58-4
• Molecular Formula: C₉H₂₀N₂
• Molecular Weight: 156.271
• Hs Code.: 2933399090
• European Community (EC) Number: 838-127-6
• DSSTox Substance ID: DTXSID60424405
• Mol file: 876716-58-4.mol

Synonyms:2-(3,5-dimethylpiperidin-1-yl)ethanamine;876716-58-4;2-(3,5-Dimethyl-piperidin-1-yl)-ethylamine;2-(3,5-dimethylpiperidin-1-yl)ethan-1-amine;SCHEMBL3454203;DTXSID60424405;GQSWLZPKSPRYJI-UHFFFAOYSA-N;HMS1704M18;MFCD06740357;STK500809;AKOS000136898;AKOS017258771;FS-6389;SB41193;2-(3,5-Dimethyl-1-piperidinyl)ethanamine;CS-0248607;FT-0725588;[2-(3,5-dimethylpiperidin-1-yl)ethyl]amine;EN300-40449;BENZYLN-ACETYL-4,6-O-BENZYLIDENEMURAMICACID;2-(3,5-dimethyl-piperidin-1-yl)-ethylamine, AldrichCPR;Z271005914

Chemical Property of 2-(3,5-Dimethylpiperidin-1-yl)ethanamine

Chemical Property:

• Vapor Pressure: 0.218mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 208.1°C at 760 mmHg
• PKA: 10.21±0.10(Predicted)
• Flash Point: 77.3°C
• PSA: 29.26000
• Density: 0.874g/cm³
• LogP: 1.56120
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 156.162648646
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

98%min ^*data from raw suppliers

2-(3,5-dimethylpiperidin-1-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CN(C1)CCN)C

Technology Process of 2-(3,5-Dimethylpiperidin-1-yl)ethanamine

There total 3 articles about 2-(3,5-Dimethylpiperidin-1-yl)ethanamine 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: 65.0%

2-(cis-3,5-dimethylpiperidin-1-yl)acetonitrile → 2-(cis-3,5-dimethylpiperidin-1-yl)ethan-1-amine (876716-58-4)

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:

3,5-dimethylpiperidine (35794-11-7) + 2-bromoethylamine hydrochloride (58861-74-8) → 2-(3,5-Dimethyl-piperidin-1-yl)-ethylamine (876716-58-4)

Guidance literature:

With potassium carbonate; In methanol; for 3h; Ambient temperature;

DOI:10.1021/jm960320m

Reference yield:

(3S,5R)-3,5-dimethylpiperidine (14446-75-4,32410-46-1,32452-46-3,35794-11-7) → 2-(cis-3,5-dimethylpiperidin-1-yl)ethan-1-amine (876716-58-4)

Guidance literature:

Multi-step reaction with 2 steps

1: formamide; potassium iodide; potassium carbonate / acetonitrile / 16 h / 20 °C

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

With ammonia; hydrogen; potassium carbonate; formamide; potassium iodide; In methanol; acetonitrile;

DOI:10.1021/acs.jmedchem.7b00561

upstream raw materials:

3,5-dimethylpiperidine

2-bromoethylamine hydrochloride

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

Refernces

• 1、 Yang, Donglai,Soulier, Jean-Louis,Sicsic, Sames,Mathé-Allainmat, Monique,Brémont, Béatrice,Croci, Tiziano,Cardamone, Rosanna,Aureggi, Giulio,Langlois, Michel. "New esters of 4-amino-5-chloro-2-methoxybenzoic acid as potent agonists and antagonists for 5-HT4 receptors". . p. 608 - 621. Retrieved 2007/10/03.