tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate

Base Information

• Chemical Name: tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate
• CAS No.: 155497-10-2
• Molecular Formula: C17H26N2O2
• Molecular Weight: 290.406
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40408425
• Mol file: 155497-10-2.mol

Synonyms:155497-10-2;tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate;(1-Benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester;1-Benzyl-3-Boc-aminomethylpyrrolidine;Tert-butyl N-[(1-benzylpyrrolidin-3-yl)methyl]carbamate;1-Benzyl-3-N-Boc-aminomethyl-pyrrolidine;Carbamic acid, N-[[1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester;tert-Butyl [(1-benzylpyrrolidin-3-yl)methyl]carbamate;SCHEMBL3289146;DTXSID40408425;MHRKPCRXBAHJGS-UHFFFAOYSA-N;MFCD04039855;AKOS015838178;AB17395;AB53986;CS-W012192;SB47344;DS-14526;FT-0677582;FT-0771422;FT-0771819;1-benzyl-3-(tert-butoxycarbonylaminomethyl)pyrrolidine;tert-Butyl((1-benzylpyrrolidin-3-yl)methyl)carbamate;1-Benzyl-3-(tert-butoxycarbonylaminomethyl)-pyrrolidine;(1-Benzyl-pyrrolidin-3-ylmethyl)-carbamic acidtert-butyl ester;1-benzyl-3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine;(1-Benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate

Chemical Property:

• Appearance/Colour: White to off-white powder
• Vapor Pressure: 1.3E-06mmHg at 25°C
• Melting Point: 56.8-56.9°C
• Refractive Index: 1.527
• Boiling Point: 400.1°Cat760mmHg
• PKA: 12.71±0.46(Predicted)
• Flash Point: 195.8°C
• PSA: 41.57000
• Density: 1.059g/cm³
• LogP: 3.36200
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 290.199428076
• Heavy Atom Count: 21
• Complexity: 332

Purity/Quality:

97% ^*data from raw suppliers

(1-Benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC1CCN(C1)CC2=CC=CC=C2

Technology Process of tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)carbamate

There total 1 articles about tert-Butyl ((1-benzylpyrrolidin-3-yl)methyl)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:

di-tert-butyl dicarbonate (24424-99-5) + C-(1-benzyl-pyrrolidin-3-yl)-methylamine (93138-61-5) → (1-benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester (155497-10-2)

Guidance literature:

In diethyl ether; dichloromethane;

Reference yield: 90.0%

(1-benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester (155497-10-2) → N-{[1-(Benzyl)-3-pyrrolidinyl]methyl}-N-methylamine (91189-05-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -5 ℃; Heating / reflux;

Reference yield:

(1-benzyl-pyrrolidin-3-ylmethyl)-carbamic acid tert-butyl ester (155497-10-2) → N-{1-[6,6-bis-(4-fluoro-phenyl)-hexanoyl]-pyrrolidin-3-ylmethyl}-4-tert-butyl-benzamide

Guidance literature:

Multi-step reaction with 4 steps

1: 5%-palladium/activated carbon; hydrogen / methanol

2: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane

3: trifluoroacetic acid / dichloromethane

4: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane

With dmap; 5%-palladium/activated carbon; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; trifluoroacetic acid; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2012.04.054

upstream raw materials:

di-tert-butyl dicarbonate

C-(1-benzyl-pyrrolidin-3-yl)-methylamine

Downstream raw materials:

3-(RS)-(N-tert-butoxycarbonylaminomethyl)pyrrolidine

N-{[1-(Benzyl)-3-pyrrolidinyl]methyl}-N-methylamine

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