tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate

Base Information

• Chemical Name: tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate
• CAS No.: 170018-97-0
• Molecular Formula: C₁₀H₁₈N₂O₂
• Molecular Weight: 198.265
• DSSTox Substance ID: DTXSID60701728
• Wikidata: Q82633496
• Mol file: 170018-97-0.mol

Synonyms:170018-97-0;tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate;(2-Cyanoethyl)ethyl-carbamic Acid tert-Butyl Ester;tert-butyl (2-cyanoethyl)(ethyl)carbamate;tert-Butyl (2-cyanoethyl)ethylcarbamate;TERT-BUTYL 2-CYANOETHYLETHYLCARBAMATE;starbld0006710;SCHEMBL8028479;DTXSID60701728;XRDFAXVFALILIJ-UHFFFAOYSA-N;AKOS010839673;tert-butyl(2-cyanoethyl)ethylcarbamate;CS-0298143;EN300-266547;F8889-2077

Chemical Property of tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate

Chemical Property:

• Boiling Point: 294.9±19.0 °C(Predicted)
• PKA: -1.58±0.70(Predicted)
• PSA: 53.33000
• Density: 1.002±0.06 g/cm3(Predicted)
• LogP: 2.15708
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 198.136827821
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

(2-Cyanoethyl)ethyl-carbamicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCC#N)C(=O)OC(C)(C)C
• Uses: (2-Cyanoethyl)ethyl-carbamic Acid tert-Butyl Ester is a reactant used in the preparation of aralkylamines as neuroprotectants.

Technology Process of tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate

There total 3 articles about tert-Butyl N-(2-cyanoethyl)-N-ethylcarbamate 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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-ethylamino propionitrile (21539-47-9) → tert-butyl (2-cyanoethyl)ethylcarbamate (170018-97-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

Reference yield: 99.0%

→ tert-butyl (2-cyanoethyl)ethylcarbamate (170018-97-0) + tert-butyl 3-[(1-oxido-1,2,4-benzotriazin-3-yl)amino]propyl(ethyl)carbamate (763131-53-9)

Guidance literature:

Reference yield:

→ tert-butyl (2-cyanoethyl)ethylcarbamate (170018-97-0)

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 75h;

upstream raw materials:

di-tert-butyl dicarbonate

3-ethylamino propionitrile

Downstream raw materials:

N-Ethyl-N-(3-aminopropyl)carbamic acid 1,1dimethylethyl ester

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-N-ethylethanamine

tert-butyl {2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl}ethylcarbamate