728919-99-1

Basic information

• Product Name: 4-TERT-BUTYLBENZYLISOCYANIDE
• Synonyms: 1-TERT-BUTYL-4-(ISOCYANOMETHYL)BENZENE;4-TERT-BUTYLBENZYLISOCYANIDE
• CAS NO: 728919-99-1
• Molecular Formula: C₁₂H₁₅N
• Molecular Weight: 173.25
• Mol File: 728919-99-1.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-TERT-BUTYLBENZYLISOCYANIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYLBENZYLISOCYANIDE(728919-99-1)
• EPA Substance Registry System: 4-TERT-BUTYLBENZYLISOCYANIDE(728919-99-1)

Safety Data

• Hazardous Substances Data: 728919-99-1(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-TERT-BUTYLBENZYLISOCYANIDE is used as a reagent and intermediate for its ability to form various types of compounds, particularly when reacted with different types of organic molecules. Its versatility in forming compounds makes it a valuable component in the synthesis of complex organic structures.
Used in Pharmaceutical Preparation:
In the pharmaceutical industry, 4-TERT-BUTYLBENZYLISOCYANIDE is used as a key intermediate in the preparation of various pharmaceuticals. Its role in the synthesis of medicinal compounds contributes to the development of new drugs and therapeutic agents.
Used in Agrochemical Production:
Similarly, in the agrochemical sector, 4-TERT-BUTYLBENZYLISOCYANIDE is utilized in the production of various agrochemicals. Its application in this field aids in the creation of pesticides, herbicides, and other agricultural chemicals that are essential for crop protection and yield enhancement.
Safety and Handling:
Due to its potential health and safety hazards, 4-TERT-BUTYLBENZYLISOCYANIDE is used with proper caution and under controlled conditions to ensure the safety of workers and the environment. This includes adhering to safety protocols and guidelines for handling and storage, as well as implementing appropriate protective measures during its use in various applications.

InChI:InChI=1/C12H15N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8H,9H2,1-3H3

Upstream product

• 7677-24-9 trimethylsilyl cyanide 
• 877-65-6 p-tert-butylbenzyl alcohol 
• 19692-45-6 4-tert-butylbenzyl chloride 
• 18880-00-7 1-(bromomethyl)-4-(1,1-dimethylethyl)benzene 
• 939-97-9 4-tert-Butylbenzaldehyde 

Downstream Products

• 1178564-05-0 C₂₄H₃₁N₃O₃ 
• 1178564-04-9 C₃₀H₃₆ClN₃O₃ 
• 1178564-02-7 C₂₆H₃₅N₃O₃ 
• 1178564-03-8 C₂₆H₃₅N₃O₃ 
• 1187828-77-8 C₁₇H₂₃NO 
• 1187828-76-7 2-(4-(tert-butyl)phenyl)-5-(4-fluorophenyl)oxazole 
• 1187828-74-5 C₁₆H₂₁NO 
• 1187828-75-6 C₁₆H₂₁NO 

Relevant articles and documents

Anodic Oxidation of Aminotetrazoles: A Mild and Safe Route to Isocyanides

A new electrochemical method for the preparation of isocyanides from easily accessible aminotetrazole derivatives has been developed, which tolerates an unprecedented range of functional groups. The use of chemical, rather than electrochemical, oxidation to afford isocyanides was also demonstrated, which provides access to these compounds for those without electrosynthesis equipment. The practicality of scale-up using flow electrochemistry has been demonstrated, in addition to the possibility of using electrochemically generated isocyanides in further reactions.

One-pot synthesis of isocyanides from alcohols

A one-pot reaction of alcohols with trimethylsilyl cyanide and methanesulfonic acid with subsequent neutralization by triethylamine and dehydration by tosyl chloride and pyridine gave the corresponding isocyanides in moderate-to-high yields. This method was used to synthesize tertiary and benzylic isocyanides from the corresponding alcohols. Georg Thieme Verlag Stuttgart · New York.

Isocyanide-based multicomponent reaction 'without' isocyanides

We present here a one-pot, four-component sequence that affords Ugi-type adducts starting from simple benzyl or allyl bromides. The isocyanides are prepared in situ under alkylation of silver cyanide salts and the resulting mixture is directly used in a U

One-pot synthesis of oxazoles using isocyanide surrogates

We wish to present herein a simple one-pot synthesis of 2,5-disubstituted oxazoles, starting from benzyl halides and acyl chlorides. The in situ formation of isocyanides, followed by the addition of an acyl chloride in the presence of a base leads to the

A convenient method for the preparation of benzyl isocyanides

Treatment of benzyl halides with silver salts (AgClO4, AgBF 4, or AgOTf) and trimethylsilyl cyanide (TMSCN) in CH 2Cl2 followed by cleavage of the carbon-silicon bond with aqueous NaHCO3 or TBAF directly afforded the corresponding isocyanides. Georg Thieme Verlag Stuttgart.