Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
• CAS No.: 158144-82-2
• Molecular Formula: C17H26N2O2
• Molecular Weight: 290.406
• DSSTox Substance ID: DTXSID30441861
• Mol file: 158144-82-2.mol

Synonyms:158144-82-2;tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;1-N-BOC-4-AMINOMETHYL-4-PHENYLPIPERIDINE;SCHEMBL557992;DTXSID30441861;tert-butyl 4-aminomethyl-4-phenylpiperidine-1-carboxylate;BHMYNEIUXQIVTL-UHFFFAOYSA-N;MFCD07779083;AKOS015900810;MB04754;AS-54102;1-Boc-4-(aminomethyl)-4-phenylpiperidine;CS-0048253;FT-0762688;P17501;EN300-6197520;A898422;4-Aminomethyl-1-t-butoxycarbonyl-4-phenylpiperidine;t-Butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert-butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate;tert-butyl4-(aminomethyl)-4-phenylpiperidine-1-carboxylate;tert. butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate;tert.butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate;1,1-Dimethylethyl 4-Aminomethyl-4-Phenylpiperidine-1-Carboxylate;1-PIPERIDINECARBOXYLIC ACID, 4-(AMINOMETHYL)-4-PHENYL-, 1,1-DIMETHYLETHYL ESTER;1-Piperidinecarboxylicacid,4-(aminomethyl)-4-phenyl-,1,1-dimethylethyl ester

Chemical Property of Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate

Chemical Property:

• Melting Point: 64℃
• Boiling Point: 402.698 °C at 760 mmHg
• PKA: 10.13±0.29(Predicted)
• Flash Point: 197.345 °C
• PSA: 55.56000
• Density: 1.067 g/cm³
• LogP: 3.55220
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 290.199428076
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(aminomethyl)-4-phenylpiperidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(CN)C2=CC=CC=C2

Technology Process of Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate

There total 9 articles about Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-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: 80.0%

tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate (158144-79-7) → tert. butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate (158144-82-2)

Guidance literature:

With hydrogen; acetic acid; platinum(IV) oxide; In ethanol; for 18h; under 2585.7 Torr;

DOI:10.1021/jm980376b

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert. butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate (158144-82-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / aq. NaOH / tetrahydrofuran

2: BH₃-THF / 40 °C

With sodium hydroxide; borane-THF; In tetrahydrofuran;

DOI:10.1016/j.tetlet.2006.05.082

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 4-cyano-4-phenylpiperidine hydrochloride (51304-58-6) → tert. butyl 4-aminomethyl-4-phenyl-piperidine-1-carboxylate (158144-82-2)

Guidance literature:

With ammonium hydroxide; sodium carbonate; acetic acid; In 1,4-dioxane; ethanol; water; ethyl acetate;

upstream raw materials:

tert-butyl 4-cyano-4-phenylpiperidine-1-carboxylate

4-phenyl-4-cyanopiperidine

di-tert-butyl dicarbonate

4-cyano-4-phenylpiperidine hydrochloride

Downstream raw materials:

4-(Methanesulfonylamino-methyl)-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

4-[(2-Methoxy-benzylamino)-methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

4-[(2-nitro-benzenesulfonylamino)-methyl]-4-phenyl-piperidine-1-carboxylic acid tert-butyl ester

1,2,3,4-tetrahydrospiro[isoquinolin-4,4'-piperidine]-1'-carboxylic acid, 1,1-dimethylethyl ester