78558-73-3

Basic information

• Product Name: (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
• Synonyms: (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER;tert-butyl N-[cyano(phenyl)methyl]carbamate
• CAS NO: 78558-73-3
• Molecular Formula: C₁₃H₁₆N₂O₂
• Molecular Weight: 232.27834
• Mol File: 78558-73-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 367.8°C at 760 mmHg
• Flash Point: 176.3°C
• Appearance: /
• Density: 1.099g/cm³
• Vapor Pressure: 1.33E-05mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER(78558-73-3)
• EPA Substance Registry System: (CYANO-PHENYL-METHYL)-CARBAMIC ACID TERT-BUTYL ESTER(78558-73-3)

Safety Data

• Hazardous Substances Data: 78558-73-3(Hazardous Substances Data)

Usage

General Description

(Cyano-phenyl-methyl)-carbamic acid tert-butyl ester, also known as t-butyl cyanomethylphenylcarbamate, is a chemical compound used as a pesticide and an intermediate in the pharmaceutical industry. It is a colorless, crystalline solid with a molecular formula of C12H14N2O2. The compound is commonly used in the synthesis of various pharmaceuticals and agrochemicals. It is also known for its insecticidal and acaricidal properties, making it an effective component in pest control products. However, it is important to handle this chemical with care as it is toxic and can be harmful if not used according to safety guidelines.

InChI:InChI=1/C13H16N2O2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,1-3H3,(H,15,16)

Upstream product

• 151-50-8 potassium cyanide 
• 155396-71-7 tert-butyl N-(phenyl(phenylsulfonyl)methyl)carbamate 
• 140-29-4 phenylacetonitrile 
• 462100-44-3 oxaziridine-2,3,3-tricarboxylic acid 2-tert-butyl ester 3,3-diethyl ester 
• 7677-24-9 trimethylsilyl cyanide 
• 177896-09-2 tert-butyl benzylidenecarbamate 
• 2900-27-8 2-(tert-butoxycarbonylamino)-2-phenylacetic acid 
• 150884-50-7 benzaldehyde N-boc imine 
• 623-49-4 ethyl cyanoformate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 100-52-7 benzaldehyde 
• 271600-36-3 N-[phenyl(toluene-4-sulfonyl)methyl]tert-butoxycarboxyamide 
• 2835-06-5 phenylglycin 
• 437768-38-2 (S)-tert-butyl 2-amino-2-oxo-1-phenylethylcarbamate 

Downstream Products

• 82409-02-7 bis[3-(t-butoxycarbonylamino)propyl]amine 
• 342600-17-3 piperazine-1,2,4-tricarboxylic acid 1-allyl ester 2-benzyl ester 4-tert-butyl ester 
• 146651-75-4 tert–butyl (2–aminophenyl)carbamate 
• 95898-94-5 C-phenyl-C-(2H-tetrazol-5-yl)-methylamine 
• 71849-99-5 (+/-)-α-phenylglycine hydrochloride 
• 437768-39-3 (+/-)-N-tert-butoxycarbonyl phenylglycine tetrazole 

Relevant articles and documents

Photoreactive fused aziridinylpiperazines on the background of 4-substituted chalcones and their benzimidazolic analogs

The reaction of bromo-substituted chalcones with various diamino-compounds leads to the fused heterocyclic products, aziridinylpiperazines, exhibiting photoreactivity in the crystalline state. Crystals of 4-nitrosubstituted compounds of this family change their color from yellowish to deep violet-blue, 4-cyanosubstituted ones – from yellowish to pink at UV irradiation. Discussion on the mechanism of this phototransformation is still in progress, however, several facts points to the free radial nature of the photogenerated colored semi-products stabilized only by crystalline state of the irradiated samples. Formation of a mixture of positional isomers at interaction of bromo-chalcones with asymmetric diamines of aliphatic/alicyclic or aromatic series at synthesis of the title compounds is of significant interest as well.

Verkade's Superbase as an Organocatalyst for the Strecker Reaction

Proazaphosphatranes -Verkade's superbases- proved to be efficient organocatalysts for the Strecker reaction between protected imines and trimethylsilyl cyanide (TMSCN). Excellent to quantitative yields were reached and, compared to other systems, only low

Synthetic application of in situ generation of N-acyliminium ions from α-amido p-tolylsulfones for the synthesis of α-amino nitriles

In the presence of catalytic amount of bismuth bromide (5 mol %) the α-amido p-tolylsulfones are converted into N-acyliminium ions, which undergo the nucleophilic addition of trimethylsilyl cyanide (TMSCN) to provide the N-protected α-amino nitriles in very good yield. A variety of α-amido p-tolylsulfones were prepared from aromatic as well as aliphatic aldehydes for the synthesis of α-amino nitriles.