tert-butyl N-(1-cyanocyclopentyl)carbamate

Base Information

• Chemical Name: tert-butyl N-(1-cyanocyclopentyl)carbamate
• CAS No.: 912770-99-1
• Molecular Formula: C₁₁H₁₈N₂O₂
• Molecular Weight: 210.276
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30587556
• Wikidata: Q82480013
• Mol file: 912770-99-1.mol

Synonyms:912770-99-1;tert-butyl N-(1-cyanocyclopentyl)carbamate;tert-Butyl (1-Cyanocyclopentyl)carbamate;(1-Cyano-cyclopentyl)-carbamic acidtert-butyl ester;tert-butyl 1-cyanocyclopentylcarbamate;(1-cyano-cyclopentyl)-carbamic acid tert-butyl ester;SCHEMBL1586413;DTXSID30587556;LRMWZGZPJOFYIM-UHFFFAOYSA-N;MFCD08277592;1-(Boc-amino)cyclopentanecarbonitrile;AKOS005256644;MCULE-2428221018;tert-Butyl(1-Cyanocyclopentyl)carbamate;AS-68842;CS-0037581;EN300-65203;W12536;Z756357124

Chemical Property of tert-butyl N-(1-cyanocyclopentyl)carbamate

Chemical Property:

• Vapor Pressure: 5.08E-05mmHg at 25°C
• Boiling Point: 348.3°C at 760 mmHg
• PKA: 9.67±0.20(Predicted)
• Flash Point: 164.5°C
• PSA: 62.12000
• Density: 1.06g/cm³
• LogP: 2.73838
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.136827821
• Heavy Atom Count: 15
• Complexity: 289

Purity/Quality:

97% ^*data from raw suppliers

tert-butylN-(1-cyanocyclopentyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCCC1)C#N

Technology Process of tert-butyl N-(1-cyanocyclopentyl)carbamate

There total 1 articles about tert-butyl N-(1-cyanocyclopentyl)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:

potassium cyanide + di-tert-butyl dicarbonate (24424-99-5) + cyclopentanone (120-92-3) → (1-cyanocyclopentyl)-carbamic acid tert-butyl ester (912770-99-1)

Guidance literature:

potassium cyanide; cyclopentanone; With ammonium chloride;

di-tert-butyl dicarbonate;

DOI:10.1016/j.molstruc.2018.12.015

Reference yield:

(1-cyanocyclopentyl)-carbamic acid tert-butyl ester (912770-99-1) → (1-aminomethylcyclopentyl)carbamic acid tert-butyl ester (889949-09-1) + 1-(aminomethyl)cyclopentanamine (5062-66-8)

Guidance literature:

In tetrahydrofuran;

Reference yield:

(1-cyanocyclopentyl)-carbamic acid tert-butyl ester (912770-99-1) → 1-(aminomethyl)cyclopentanamine (5062-66-8)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran

2: trimethylsilyl iodide / 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

With trimethylsilyl iodide; In tetrahydrofuran; 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran;

upstream raw materials:

di-tert-butyl dicarbonate

cyclopentanone

Downstream raw materials:

(1-aminomethylcyclopentyl)carbamic acid tert-butyl ester

1-(aminomethyl)cyclopentanamine