tert-Butyl (3-methylpyrrolidin-3-yl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-methylpyrrolidin-3-yl)carbamate
• CAS No.: 147459-52-7
• Molecular Formula: C₁₀H₂₀N₂O₂
• Molecular Weight: 200.281
• Hs Code.: 2933990090
• European Community (EC) Number: 832-974-5
• DSSTox Substance ID: DTXSID20445015
• Mol file: 147459-52-7.mol

Synonyms:147459-52-7;tert-Butyl (3-methylpyrrolidin-3-yl)carbamate;3-(BOC-AMINO)-3-METHYLPYRROLIDINE;Tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate;(3-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester;tert-Butyl(3-methylpyrrolidin-3-yl)carbamate;Carbamic acid, (3-methyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester;167888-17-7;SCHEMBL1035235;DTXSID20445015;DIQWSFWWYVRXRO-UHFFFAOYSA-N;MFCD09951966;AKOS016014341;AM10533;DS-6027;PB10786;SB10489;CS-0048073;FT-0760169;EN300-267924;A884430;TERT-BUTYL 3-METHYLPYRROLIDIN-3-YLCARBAMATE

Chemical Property of tert-Butyl (3-methylpyrrolidin-3-yl)carbamate

Chemical Property:

• Boiling Point: 289.8±29.0 °C(Predicted)
• PKA: 12.58±0.20(Predicted)
• PSA: 50.36000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 1.98280
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

3-(Boc-amino)-3-methylpyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCNC1)NC(=O)OC(C)(C)C

Technology Process of tert-Butyl (3-methylpyrrolidin-3-yl)carbamate

There total 8 articles about tert-Butyl (3-methylpyrrolidin-3-yl)carbamate 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: 96.0%

1-benzyloxycarbonyl-3-(N-tert-butoxycarbonylamino)-3-methylpyrrolidine (927389-50-2) → 3-tert-butoxycarbonylamino-3-methyl-pyrrolidine (147459-52-7,167888-15-5,167888-17-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 1h; under 760.051 Torr;

Reference yield:

1-Benzyl-3-(N-t-butoxycarbonylamino)-3-methylpyrrolidine (181114-75-0,181417-37-8,181417-39-0) → 3-tert-butoxycarbonylamino-3-methyl-pyrrolidine (147459-52-7,167888-15-5,167888-17-7)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 3h; under 2327.23 Torr;

Reference yield:

1-benzyl-3-methylpyrrolidin-3-amine dihydrochloride → 3-tert-butoxycarbonylamino-3-methyl-pyrrolidine (147459-52-7,167888-15-5,167888-17-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran; water / 3 h / 20 °C

2: hydrogen / palladium 10% on activated carbon / ethanol / 3 h / 2327.23 Torr

With hydrogen; potassium carbonate; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; water;

upstream raw materials:

1-benzyloxycarbonyl-3-(N-tert-butoxycarbonylamino)-3-methylpyrrolidine

1-Benzyl-3-(N-t-butoxycarbonylamino)-3-methylpyrrolidine

1-benzyl-3-methylpyrrolidin-3-ol

N-(1-benzyl-3-methylpyrrolidin-3-yl)acetamide