4-(Aminomethyl)-1-phenethylpiperidin-4-ol

Base Information

• Chemical Name: 4-(Aminomethyl)-1-phenethylpiperidin-4-ol
• CAS No.: 23808-42-6
• Molecular Formula: C14H22N2O
• Molecular Weight: 234.341
• Hs Code.: 2933399090
• European Community (EC) Number: 245-896-6
• DSSTox Substance ID: DTXSID80178519
• Nikkaji Number: J242.685D
• Wikidata: Q72439833
• Mol file: 23808-42-6.mol

Synonyms:4-(Aminomethyl)-1-phenethylpiperidin-4-ol;23808-42-6;4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol;EINECS 245-896-6;4-AMINOMETHYL-1-PHENETHYL-PIPERIDIN-4-OL;4-(Aminomethyl)-1-phenethyl-4-piperidinol;4-(aminomethyl)-1-(2-phenethyl)piperidine-4-ol;SCHEMBL10513153;DTXSID80178519;AKOS010006502;SB35934;FT-0723439;4-Aminomethyl-1-(2-phenylethyl)piperidin-4-ol

Chemical Property of 4-(Aminomethyl)-1-phenethylpiperidin-4-ol

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• Refractive Index: 1.563
• Boiling Point: 387.6 °C at 760 mmHg
• PKA: 12.55±0.20(Predicted)
• Flash Point: 188.2 °C
• PSA: 49.49000
• Density: 1.085 g/cm³
• LogP: 1.65290
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 234.173213330
• Heavy Atom Count: 17
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

4-(Aminomethyl)-1-phenethyl-4-piperidinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(CN)O)CCC2=CC=CC=C2
• Uses: 4-(Aminomethyl)-1-phenethyl-4-piperidinol is an impurity of Fenspiride (F265000), an bronchodilator with anti-inflammatory properties. Inhibits mucus secretion and reduces the release of tachykinins a t a prejunctional level by its anti-muscarinic action

Technology Process of 4-(Aminomethyl)-1-phenethylpiperidin-4-ol

There total 9 articles about 4-(Aminomethyl)-1-phenethylpiperidin-4-ol 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:

1-(2-phenylethyl)-4-piperidinone (39742-60-4) → 1-(2-phenylethyl)-4-aminomethyl-4-piperidinol (23808-42-6)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnI₂ / 1.) 0 deg C, 3 h, 2.) 60 deg C, 3 h

2: LiAlH₄ / diethyl ether / 2 h

With lithium aluminium tetrahydride; zinc(II) iodide; In diethyl ether;

DOI:10.1080/00397919408011753

Reference yield:

6-phenethyl-1-oxa-6-azaspiro[2.5]octane (67685-98-7) → 1-(2-phenylethyl)-4-aminomethyl-4-piperidinol (23808-42-6)

Guidance literature:

With ammonia; In methanol; at 20 ℃;

DOI:10.1021/acs.jmedchem.9b01256

Reference yield:

C14H20N2O3 → 1-(2-phenylethyl)-4-aminomethyl-4-piperidinol (23808-42-6)

Guidance literature:

With hydrogenchloride; zinc; In water; isopropyl alcohol; at 0 - 20 ℃; for 1h; Reagent/catalyst;

DOI:10.1021/acs.oprd.9b00022

upstream raw materials:

1-(2-phenethyl)-4-cyano-4-trimethylsilyloxypiperidine

1-(2-phenylethyl)-4-piperidinone

phenethylamine

dimethyl β,β'-(2-phenylethylamino)dipropionate

Downstream raw materials:

fenspiride