Tert-butyl cyanoformate

Base Information

• Chemical Name: Tert-butyl cyanoformate
• CAS No.: 57022-34-1
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.143
• European Community (EC) Number: 846-017-4
• Nikkaji Number: J1.823.387H
• Mol file: 57022-34-1.mol

Synonyms:tert-butyl cyanoformate;57022-34-1;t-butyl cyanoformate;tert-Butylcarbonocyanidate;tert-Butyl carbonocyanidate;SCHEMBL1800118;AKOS038557853;2-[(cyanocarbonyl)oxy]-2-methylpropane;EN300-156816

Chemical Property of Tert-butyl cyanoformate

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C#N

Technology Process of Tert-butyl cyanoformate

There total 1 articles about Tert-butyl cyanoformate 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:

tert-butyl glyoxylate (7633-32-1) → tert-butyl cyanoformate (57022-34-1)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₂OH

2: 85 percent / NEt₃ / acetonitrile / 0.33 h / 0 °C

With hydroxylamine; triethylamine; In acetonitrile;

DOI:10.1055/s-1990-26808

Reference yield: 100.0%

tert-butyl cyanoformate (57022-34-1) + benzaldehyde (100-52-7) → (S)-2-hydroxy-2-phenylethanonitrile tert-butyl carbonate (890048-66-5)

Guidance literature:

With potassium cyanide; titanium(salen) complex; In dichloromethane; at -40 ℃; for 24h;

DOI:10.1039/b602156e

Reference yield: 100.0%

tert-butyl cyanoformate (57022-34-1) + benzaldehyde (100-52-7) → O-tert-butyloxycarbonyl-2-hydroxy-2-phenyl-acetonitrile (80189-28-2)

Guidance literature:

With potassium cyanide; chiral salen-based titanium; In dichloromethane; at -40 ℃; for 24h;

DOI:10.1016/j.tet.2007.07.016

upstream raw materials:

tert-butyl glyoxylate

Downstream raw materials:

N-tert-butoxycarbonyl-L-leucine

1,2-bis(t-butyloxycarbonyl)hydrazine

Boc-Gly-Gly-OH

ethyl N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-phenylalaninate

Refernces