56017-72-2

Basic information

• Product Name: 3-Bromopropyl isocyanate, 98%
• Synonyms: 3-BROMOPROPYL ISOCYANATE 98%
• CAS NO: 56017-72-2
• Molecular Formula: C₄H₆BrNO
• Molecular Weight: 164
• Mol File: 56017-72-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 174.6°Cat760mmHg
• Flash Point: 59.4°C
• Appearance: /
• Density: 1.47g/cm³
• Vapor Pressure: 1.2mmHg at 25°C
• Refractive Index: 1.496
• CAS DataBase Reference: 3-Bromopropyl isocyanate, 98%(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromopropyl isocyanate, 98%(56017-72-2)
• EPA Substance Registry System: 3-Bromopropyl isocyanate, 98%(56017-72-2)

Safety Data

• Hazardous Substances Data: 56017-72-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H6BrNO/c5-2-1-3-6-4-7/h1-3H2

Upstream product

• 927-58-2 4-bromobutyroyl chloride 
• 56017-71-1 1-(5,6-dihydro-4H-[1,3]oxazin-2-yl)-pyridinium; toluene-4-sulfonate 

Relevant articles and documents

Supporting-Electrolyte-Free Anodic Oxidation of Oxamic Acids into Isocyanates: An Expedient Way to Access Ureas, Carbamates, and Thiocarbamates

We report a new electrochemical supporting-electrolyte-free method for synthesizing ureas, carbamates, and thiocarbamates via the oxidation of oxamic acids. This simple, practical, and phosgene-free route includes the generation of an isocyanate intermediate in situ via anodic decarboxylation of an oxamic acid in the presence of an organic base, followed by the one-pot addition of suitable nucleophiles to afford the corresponding ureas, carbamates, and thiocarbamates. This procedure is applicable to different amines, alcohols, and thiols. Furthermore, when single-pass continuous electrochemical flow conditions were used and this reaction was run in a carbon graphite Cgr/Cgr flow cell, urea compounds could be obtained in high yields within a residence time of 6 min, unlocking access to substrates that were inaccessible under batch conditions while being easily scalable.