4-Amino-1-benzylpiperidine

Base Information

• Chemical Name: 4-Amino-1-benzylpiperidine
• CAS No.: 50541-93-0
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 2933.39
• European Community (EC) Number: 256-620-9
• NSC Number: 730607
• UNII: 6QX28DE295
• DSSTox Substance ID: DTXSID60198578
• Nikkaji Number: J207.965H
• Wikidata: Q72438227
• ChEMBL ID: CHEMBL366500
• Mol file: 50541-93-0.mol

Synonyms:4-Amino-1-benzylpiperidine;50541-93-0;1-benzylpiperidin-4-amine;1-Benzyl-4-aminopiperidine;1-(Phenylmethyl)-4-piperidinamine;1-Benzyl-4-piperidylamine;4-Piperidinamine, 1-(phenylmethyl)-;MFCD00006504;n-benzyl-4-aminopiperidine;4-Amino-N-benzylpiperidine;N-Benzyl-4-amino piperidine;4-Amino-1-benzyl-piperidine;6QX28DE295;EINECS 256-620-9;1-Benzyl-4-piperidinamine;1-benzyl-4-piperidinylamine;1-benzylpiperidin-4-ylamine;4-amino-1-benzyl piperidine;UNII-6QX28DE295;(1-benzylpiperidin-4-yl)amine;NSC 730607;4-amino-1-n-benzylpiperidine;benzylpiperidin-4-amine;4-amino1-benzylpiperidine;ChemDiv2_003367;4-amino-1-benzylpiperdine;1-benzyl-4-piperidineamine;1-benzylpiperidine-4-amine;1-benzyl-piperidin-4-amine;n-(4-aminobenzyl)piperidine;4-amino-N-benzyl piperidine;1-benzyl 4-amino piperidine;1-benzyl-4-amino piperidine;1-benzyl-4-amino-piperidine;1-benzyl-piperidin-4-ylamin;1-benzyl-piperidine-4-amine;4- amino-1-benzylpiperidine;4-amino-1-benzyl-piperadine;Oprea1_198193;phenylmethyl-4-piperidinamine;SCHEMBL42207;1-(benzyl)-4-piperidinamine;phenylmethyl 4-aminopiperidine;1-Benzyl-4-piperidinamine #;1-benzyl-piperidin-4-yl-amine;CHEMBL366500;1-phenylmethyl-4-piperidinamine;4-amino-1-phenylmethylpiperidine;1-(Phenylmethyl)4-piperidinamine;DTXSID60198578;4-amino1-(phenylmethyl)piperidine;HMS1378J01;2-AMINO-1-BENZYLPIPERIDINE;4-Amino-1-benzylpiperidine, 98%;4-Piperidinamine,1-(phenylmethyl);1-(phenylmethyl)-4-piperidineamine;4-amino-1-(phenylmethyl)piperidine;BCP20574;4-amino-1-(phenylmethyl)-piperidine;NSC730607;STK397849;AKOS000119508;AB00776;AC-2456;CS-W009234;LF-0510;NSC-730607;SDCCGMLS-0066225.P001;A1086;A7492;AM20060363;BB 0241889;FT-0617429;EN300-20135;SR-01000597197;J-513823;SR-01000597197-1;W-105952;Z104477026

Chemical Property of 4-Amino-1-benzylpiperidine

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 0.000794mmHg at 25°C
• Melting Point: 90-93ºC
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 281.153 °C at 760 mmHg
• PKA: 10.15±0.20(Predicted)
• Flash Point: 113.886 °C
• PSA: 29.26000
• Density: 1.038 g/cm³
• LogP: 2.24790
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: 10g/l
• Water Solubility.: immiscible
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 190.146998583
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-1-benzylpiperidine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CCC1N)CC2=CC=CC=C2
• Uses: 4-Amino-1-benzylpiperidine was used in the preparation of:butyl 4-amino-1-piperidineacetate, key intermediate required for the synthesis of butyl 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-piperidineacetate5-alkylimino-1,2,4-thiadiazolidine-3-ones, such as 4-ethyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-methyl-1,2,4-thiadiazolidin-3-one and 4-benzyl-5-[imino-[1-(phenylmethyl)-4-piperidinyl]]-2-isopropyl-1,2,4-thiadiazolidin-3-oneglycyrrhetinic acid derivatives

Technology Process of 4-Amino-1-benzylpiperidine

There total 29 articles about 4-Amino-1-benzylpiperidine 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: 97.0%

1-benzyl-piperidine-4-carboxylic acid amide (62992-68-1) → 4-amino-1-benzylpiperidine (50541-93-0)

Guidance literature:

With potassium hydroxide; In ethanol; for 4h; Heating;

Reference yield: 95.1%

N-benzyl-4-(N-hydroxyimino)piperidine (949-69-9) → 4-amino-1-benzylpiperidine (50541-93-0)

Guidance literature:

With propan-1-ol; sodium; for 3.5h; Cooling with ice; Reflux;

DOI:10.1016/j.ejmech.2010.03.003

Reference yield: 90.0%

tert-butyl (1-benzylpiperidin-4-yl)carbamate (73889-19-7) → 4-amino-1-benzylpiperidine (50541-93-0)

Guidance literature:

With water; sodium t-butanolate; In tetrahydrofuran; Heating;

DOI:10.1016/j.tetlet.2003.11.108

upstream raw materials:

N-benzyl-4-(N-hydroxyimino)piperidine

1-benzyl-piperidine-4-carboxylic acid amide

1-benzyl-piperidine-4-carboxylic acid hydrazide

tert-butyl (1-benzylpiperidin-4-yl)carbamate

Downstream raw materials:

1-benzyl-N,N-dimethylpiperidin-4-amine

phenyl (1-benzylpiperidin-4-yl)carbamate

(1-benzyl-piperidin-4-yl)-(3-chloro-propyl)-amine

4-IBP

Refernces

• 1、 Park, Eunsun,Lee, Sun Joo,Moon, Heegyum,Park, Jongmi,Jeon, Hyeonho,Hwang, Ji Sun,Hwang, Hayoung,Hong, Ki Bum,Han, Seung-Hee,Choi, Sun,Kang, Soosung. "Discovery and Biological Evaluation of N-Methyl-pyrrolo[2,3- b]pyridine-5-carboxamide Derivatives as JAK1-Selective Inhibitors". . p. 958 - 979. Retrieved 2021/02/01.
• 2、 Yin, Liang,Zhang, Mingxue,He, Tiangeng. "Design and development of novel thiazole-sulfonamide derivatives as a protective agent against diabetic cataract in Wistar rats via inhibition of aldose reductase". . p. 63 - 70. Retrieved 2021/10/01.