56620-43-0

Basic information

• Product Name: 1-Propyne, 3-isocyanato-
• Synonyms: 1-Propyne, 3-isocyanato-;3-isocyanatoprop-1-yne
• CAS NO: 56620-43-0
• Molecular Formula: C₄H₃NO
• Molecular Weight: 81
• Mol File: 56620-43-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 82.9±23.0 °C(Predicted)
• Appearance: /
• Density: 0.83±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1-Propyne, 3-isocyanato-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Propyne, 3-isocyanato-(56620-43-0)
• EPA Substance Registry System: 1-Propyne, 3-isocyanato-(56620-43-0)

Safety Data

• Hazardous Substances Data: 56620-43-0(Hazardous Substances Data)

Usage

Reactivity

highly reactive

Toxicity

toxic

Uses

synthesis of various organic compounds

Hazards

strong irritant properties, severe irritation to skin, eyes, and respiratory system

Reactivity with other chemicals

powerful alkylating agent, reacts with nucleophiles in organic synthesis

Potential applications

pharmaceuticals and agrochemicals

Safety measures

proper precautions and safety measures should be taken when working with this compound

Upstream product

• 590-28-3 potassium cyanate 
• 6165-76-0 propargyl p-toluenesulfonate 
• 2450-71-7 Propargylamine 
• 503-38-8 trichloromethyl chloroformate 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 1383939-33-0 1,1-diphenyl-3-(prop-2-ynyl)urea 
• 878412-94-3 N-(allyloxycarbonyl)prop-2-inylamine 

Downstream Products

• 5221-62-5 propargyl urea 
• 101871-81-2 1-phenyl-3-(prop-2-yn-1-yl)urea 
• 942612-43-3 CHNC(N)NCOCCOOC₂H₅((C₇H₇NCH₃)CH₂CCC₆H₄NHCONHC₃H₃)(CH₂C₆H₃F₂) 
• 1383938-71-3 N-(4-methoxybenzyl)-4-oxo-3-(prop-2-ynyl)-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-sulfonamide 
• 1464-98-8 N-(prop-2-yn-1-yl)benzamide 

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.

THERAPEUTIC COMPOUNDS

The invention provides a product which is a compound of formula (I), or a pharmaceutically acceptable salt, hydrate or solvate thereof: (I) wherein: X is selected from: hydrogen; a methyl group which is optionally substituted, wherein any substituent groups present are independently selected from hydroxyl, halo and NR'2, where each R' is independently selected from hydrogen and methyl; and an ethyl group which is either unsubstituted or is substituted with from one to five F substituent groups; Y is selected from: hydrogen; a methyl group which is optionally substituted, wherein any substituent groups present are independently selected from hydroxyl, halo and NR'2, where each R' is independently selected from hydrogen and methyl; and an ethyl group which is either unsubstituted or is substituted with from one to five F substituent groups; RA is hydrogen, or is a C1-2 alkyl group which is optionally substituted, wherein any substituent groups present are independently selected from hydroxyl, halo and NR'2, where each R' is independently selected from hydrogen and methyl.

8 - SULFO - IMIDAZOTETRAZIN- 4 - ONE COMPOUNDS AND THEIR USE AS ANTICANCER DRUG

Compounds of formula (I) and pharmaceutically acceptable salts, hydrates or solvates thereof are provided (I) wherein B, X, and Y are as defined herein. The compounds are of use in methods of regulating cell proliferation, inhibiting cell cycle progressio