Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
• CAS No.: 163271-07-6
• Molecular Formula: C₁₈H₂₈N₂O₂
• Molecular Weight: 304.433
• DSSTox Substance ID: DTXSID301153142
• Mol file: 163271-07-6.mol

Synonyms:163271-07-6;Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester;tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)carbamate;SCHEMBL1997960;ARRKIGJMYZVIAL-UHFFFAOYSA-N;DTXSID301153142;1-Benzyl-4-(Boc-amino)-4-methylpiperidine;DB-432527;F18365;tert-Butyl (1-benzyl-4-methyl-4-piperidinyl)carbamate;tert-butyl (1-benzyl-4-methylpiperidin-4-yl)carbamate;1,1-Dimethylethyl N-[4-methyl-1-(phenylmethyl)-4-piperidinyl]carbamate;Carbamicacid,n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-,1,1-dimethylethylester

Chemical Property of Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 404.5±34.0 °C(Predicted)
• PKA: 12.59±0.20(Predicted)
• Density: 1.06±0.1 g/cm3(Predicted)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.215078140
• Heavy Atom Count: 22
• Complexity: 362

Purity/Quality:

99.3% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester

There total 3 articles about Carbamic acid, n-[4-methyl-1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester 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: 88.0%

4-tert-butoxycarbonylamino-4-methylpiperidine (163271-08-7) + benzyl bromide (100-39-0) → tert-butyl 1-benzyl-4-methylpiperidin-4-ylcarbamate (163271-07-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

Reference yield:

4-amino-1-benzyl-4-methylpiperidine (163271-06-5) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 1-benzyl-4-methylpiperidin-4-ylcarbamate (163271-07-6)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃; for 12h;

Reference yield:

→ tert-butyl 1-benzyl-4-methylpiperidin-4-ylcarbamate (163271-07-6)

Guidance literature:

upstream raw materials:

4-amino-1-benzyl-4-methylpiperidine

di-tert-butyl dicarbonate

4-tert-butoxycarbonylamino-4-methylpiperidine

benzyl bromide

Downstream raw materials:

4-tert-butoxycarbonylamino-4-methylpiperidine

(1-benzyl-4-methylpiperidin-4-yl)(methyl)carbamic acid tert-butyl ester