2-(Boc-aminomethyl)-piperidine

Base Information

• Chemical Name: 2-(Boc-aminomethyl)-piperidine
• CAS No.: 141774-61-0
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 29333990
• European Community (EC) Number: 625-188-7
• Mol file: 141774-61-0.mol

Synonyms:141774-61-0;2-(Boc-aminomethyl)-piperidine;tert-Butyl (piperidin-2-ylmethyl)carbamate;2-(Boc-aminomethyl)piperidine;tert-butyl N-(piperidin-2-ylmethyl)carbamate;Piperidin-2-ylmethyl-carbamic acid tert-butyl ester;MFCD02181068;TERT-BUTYL PIPERIDIN-2-YLMETHYLCARBAMATE;Carbamic acid, (2-piperidinylmethyl)-, 1,1-dimethylethyl ester;tert-butyl N-[(piperidin-2-yl)methyl]carbamate;Tert-butyl N-(2-piperidylmethyl)carbamate;tert-butyl (piperidin-2-yl)methylcarbamate;SCHEMBL487705;rac 2-Bocaminomethyl-piperidine;DIRUVVRMWMDZAE-UHFFFAOYSA-N;BCP12494;CS-D1778;2-(Boc-aminomethyl)piperidine, 97%;AKOS000164217;AKOS016842373;AC-2181;PB32457;PB33013;PS-5163;SY003705;tert-Butyl(piperidin-2-ylmethyl)carbamate;AM20080316;FT-0601667;FT-0660083;FT-0660084;EN300-57083;rac-tert-butyl (piperidin-2-yl)methylcarbamate;2-[N-(tert-butoxycarbonyl)aminomethyl]piperidine;Piperidin-2-ylmethylcarbamic acid tert-butyl ester;W-205562;F8880-3460;Z285919718;Carbamic acid, N-(2-piperidinylmethyl)-, 1,1-dimethylethyl ester;2-(Boc-aminomethyl)-piperidine & tert-Butyl piperidin-2-ylmethylcarbamate

Chemical Property of 2-(Boc-aminomethyl)-piperidine

Chemical Property:

• Vapor Pressure: 0.00029mmHg at 25°C
• Melting Point: 93-97 °C
• Refractive Index: 1.457
• Boiling Point: 321.8 °C at 760 mmHg
• PKA: 12.84±0.46(Predicted)
• Flash Point: 148.4 °C
• PSA: 50.36000
• Density: 0.981 g/cm³
• LogP: 2.37290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 211

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(Boc-aminomethyl)-piperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCCCN1

Technology Process of 2-(Boc-aminomethyl)-piperidine

There total 3 articles about 2-(Boc-aminomethyl)-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:

2-[N-(tert-butoxycarbonyl)aminomethyl]pyridine (134807-28-6) → piperidine-2-yl-methylcarbamic acid tert-butyl ester (141774-61-0)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethanol; acetic acid; under 3102.9 Torr;

DOI:10.1021/jm00113a038

Reference yield:

2-(Aminomethyl)pyridine (3731-51-9) → piperidine-2-yl-methylcarbamic acid tert-butyl ester (141774-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / tetrahydrofuran / 0 - 20 °C

2: H₂, PtO₂ / acetic acid; ethanol / 3102.9 Torr

With platinum(IV) oxide; sodium hydroxide; hydrogen; In tetrahydrofuran; ethanol; acetic acid;

DOI:10.1021/jm00113a038

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → piperidine-2-yl-methylcarbamic acid tert-butyl ester (141774-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / tetrahydrofuran / 0 - 20 °C

2: H₂, PtO₂ / acetic acid; ethanol / 3102.9 Torr

With platinum(IV) oxide; sodium hydroxide; hydrogen; In tetrahydrofuran; ethanol; acetic acid;

DOI:10.1021/jm00113a038

upstream raw materials:

2-[N-(tert-butoxycarbonyl)aminomethyl]pyridine

2-(Aminomethyl)pyridine

di-tert-butyl dicarbonate

Downstream raw materials:

methyl 2-(2-((tert-butoxycarbonylamino)methyl)piperidin-1-yl)-4-chloro-6-(m-tolylamino)pyrimidine-5-carboxylate

C₁₅H₂₂ClFN₄O₂

(S)-2,6-Diamino-hexanoic acid (1-tridecanoyl-piperidin-2-ylmethyl)-amide; hydrochloride

(R)-2,6-Diamino-hexanoic acid (1-tridecanoyl-piperidin-2-ylmethyl)-amide; hydrochloride

Refernces

• 1、 Shearer, Barry G.,Sullivan, James P.,Carter, J. Paul,Mathew, Rose M.,Waid, Phillip,et al.. "Substituted 2-(Aminomethyl)piperidines: A Novel Class of Selective Protein Kinase C Inhibitors". . p. 2928 - 2931. Retrieved 2007/10/02.