Methyl 4-amino-1-benzylpiperidine-4-carboxylate

Base Information

• Chemical Name: Methyl 4-amino-1-benzylpiperidine-4-carboxylate
• CAS No.: 57611-57-1
• Molecular Formula: C14H20N2O2
• Molecular Weight: 248.325
• Hs Code.: 2933399090
• European Community (EC) Number: 839-468-3
• DSSTox Substance ID: DTXSID50388825
• Wikidata: Q82184013
• Mol file: 57611-57-1.mol

Synonyms:methyl 4-amino-1-benzylpiperidine-4-carboxylate;57611-57-1;4-Piperidinecarboxylic acid, 4-amino-1-(phenylmethyl)-, methyl ester;MFCD08751635;Methyl4-Amino-1-benzylpiperidine-4-carboxylate;SCHEMBL3510474;DTXSID50388825;GRSLQEBUAGDFDU-UHFFFAOYSA-N;AKOS010011614;AS-31838;SY010995;FT-0732284;EN300-128097;A869636;4-Amino-1-benzylpiperidine-4-carboxylic acid methyl ester

Chemical Property of Methyl 4-amino-1-benzylpiperidine-4-carboxylate

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 337.2°Cat760mmHg
• PKA: 7.13±0.10(Predicted)
• Flash Point: 157.7°C
• PSA: 55.56000
• Density: 1.131g/cm³
• LogP: 1.79110
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.152477885
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-amino-1-benzylpiperidine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N

Technology Process of Methyl 4-amino-1-benzylpiperidine-4-carboxylate

There total 1 articles about Methyl 4-amino-1-benzylpiperidine-4-carboxylate 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:

→ methyl 4-amino-1-benzylpiperidine-4-carboxylate (57611-57-1)

Guidance literature:

Saeure 7a, MeOH, HCl;

Reference yield: 87.0%

N-(t-butoxycarbonyl)glycinal (89711-08-0) + methyl 4-amino-1-benzylpiperidine-4-carboxylate (57611-57-1) → methyl 1-benzyl-4-((2-((tert-butoxycarbonyl)amino)ethyl)amino)piperidine-4-carboxylate (1383575-13-0)

Guidance literature:

N-(t-butoxycarbonyl)glycinal; methyl 4-amino-1-benzylpiperidine-4-carboxylate; With sodium acetate; sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 ℃; for 0.666667h; Inert atmosphere;

With sodium hydrogencarbonate; In dichloromethane; water; at 0 ℃; for 0.0833333h;

Reference yield: 66.9%

methyl 4-amino-1-benzylpiperidine-4-carboxylate (57611-57-1) → (4-amino-1-benzyl-piperidin-4-yl)-methanol (312928-52-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

Downstream raw materials:

1-benzyl-4-[(tert-butyloxycarbonyl)amino]-4-(methoxycarbonyl)piperidine

methyl 1-benzyl-4-((2-((tert-butoxycarbonyl)amino)ethyl)amino)piperidine-4-carboxylate

9-benzyl-1,4,9-triazaspiro[5.5]undecan-5-one

tert-butyl 9-benzyl-5-oxo-1,4,9-triazaspiro[5.5]undecane-1-carboxylate