1-Benzyl-4-(N-Boc-amino)piperidine

Base Information

• Chemical Name: 1-Benzyl-4-(N-Boc-amino)piperidine
• CAS No.: 73889-19-7
• Molecular Formula: C17H26N2O2
• Molecular Weight: 290.406
• Hs Code.: 29333990
• European Community (EC) Number: 626-763-5
• DSSTox Substance ID: DTXSID30403308
• Nikkaji Number: J1.522.014G
• Wikidata: Q72440812
• Mol file: 73889-19-7.mol

Synonyms:73889-19-7;1-Benzyl-4-(N-Boc-amino)piperidine;tert-Butyl (1-benzylpiperidin-4-yl)carbamate;1-Benzyl-4-(Boc-amino)piperidine;1-N-Benzyl-4-N-boc-aminopiperidine;tert-butyl N-(1-benzylpiperidin-4-yl)carbamate;1-Benzyl-4-(N-Boc-amino) piperidine;tert-butyl 1-benzylpiperidin-4-ylcarbamate;MFCD03093979;4-BOC-AMINO-1-BENZYLPIPERIDINE;Carbamic acid, [1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester;SCHEMBL915402;DTXSID30403308;WFKLUNLIZMWKNF-UHFFFAOYSA-N;(1-BENZYL-PIPERIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER;YCA88919;AKOS009318776;AB13296;AM85351;CS-W012193;t-butyl-1-benzylpiperidin-4-ylcarbamate;AC-28088;DS-11141;SY003281;tert-butyl 1-benzyl-4-piperidinylcarbamate;1-Benzyl-4-t-butyloxycarbonylaminopiperidine;1-benzyl-4-tert-butoxycarbonylaminopiperidine;4-(t-butoxycarbonylamino)-1-benzylpiperidine;A9508;FT-0649672;tert-Butyl(1-benzylpiperidin-4-yl)carbamate;1-Benzyl-4-(N-Boc-amino) piperidine, 98%;1-Benzyl-4-tertbutyloxycarbonylaminopiperidine;1-benzyl-4-(tert-butoxycarbonylamino)piperidine;EN300-100537;1-benzyl-4-(tert-butoxycarbonylamino)-piperidine;O-tert-butyl N-(1-benzylpiperidin-4-yl)carbamate;1-benzyl-4-(N-tert-butyloxycarbonylamino)piperidine;1-Benzyl-4-piperidinylcarbamic acid tert-butyl ester;1-Benzyl-4-[(tert.-butyloxycarbonyl)amino]-piperidine;(1-Benzyl-piperidin-4-yl)carbamic acid tert-butyl ester;Z648897674;[1-(Phenylmethyl)-4-piperidinyl]carbamic acid, 1,1-dimethylethyl ester

Chemical Property of 1-Benzyl-4-(N-Boc-amino)piperidine

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Melting Point: 122-125 °C(lit.)
• Refractive Index: 1.542
• Boiling Point: 400.9 °C at 760 mmHg
• PKA: 12.35±0.20(Predicted)
• Flash Point: 196.2 °C
• PSA: 41.57000
• Density: 1.07 g/cm³
• LogP: 3.50450
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.199428076
• Heavy Atom Count: 21
• Complexity: 324

Purity/Quality:

1-Benzyl-4-(N-Boc-amino)piperidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1CCN(CC1)CC2=CC=CC=C2

Technology Process of 1-Benzyl-4-(N-Boc-amino)piperidine

There total 18 articles about 1-Benzyl-4-(N-Boc-amino)piperidine 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: 100.0%

4-amino-1-benzylpiperidine (50541-93-0) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (1-benzylpiperidin-4-yl)carbamate (73889-19-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield: 78.0%

benzaldehyde (100-52-7) + (piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) → tert-butyl (1-benzylpiperidin-4-yl)carbamate (73889-19-7)

Guidance literature:

benzaldehyde; tert‐butyl piperidin‐4‐ylcarbamate; With acetic acid; In dichloromethane; at 20 ℃; for 1h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1021/acs.jmedchem.7b01277

Reference yield: 76.0%

benzyl chloride (100-44-7) + (piperidin-4-yl)carbamic acid tert-butyl ester (73874-95-0) → tert-butyl (1-benzylpiperidin-4-yl)carbamate (73889-19-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; Reflux;

DOI:10.1021/acs.jmedchem.7b01340

upstream raw materials:

4-amino-1-benzylpiperidine

di-tert-butyl dicarbonate

dichloromethane

N-(tert-butyloxycarbonyl) azide

Downstream raw materials:

N-(1-benzylpiperidin-4-yl)-5-(1,2-dithiolan-3-yl)pentanamide

1-(4-METHYLBENZYL)-4-PIPERIDINYLAMINE

1-(4-methoxyphenyl)methyl-4-amino piperidine

4-piperidinqmine, 1-<(4-nitrophenyl)methyl>-

Refernces

• 1、 Chen, Xinyi,Li, Chuangjun,Liu, Ke,Ma, Jie,Wang, Weiping,Wang, Xiaoliang,Yang, Jingzhi,Zang, Yingda,Zhang, Dongming. "Claulansine F-donepezil hybrids as anti-alzheimer’s disease agents with cholinergic, free-radical scavenging, and neuroprotective activities". . . Retrieved 2021/05/31.
• 2、 Benson, Helen,Bones, Karen,Churchill, Gwydion,Ford, Gair,Frodsham, Lianne,Janbon, Sophie,Millington, Fiona,Powell, Lyn,Raw, Steven A.,Reid, Julie,Stark, Andrew,Steven, Alan. "Development of the Convergent, Kilogram-Scale Synthesis of an Antibacterial Clinical Candidate Using Enantioselective Hydrogenation". . p. 588 - 598. Retrieved 2020/05/19.