163852-55-9

Basic information

• Product Name: 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI)
• Synonyms: 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI);4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-BUTYNOIC ACID METHYLESTER;Methyl 4-((tert-butoxycarbonyl)aMino)but-2-ynoate;2-Butynoic acid,4-[[(1,1-diMethylethoxy)carbonyl]aMino]-, Methyl ester
• CAS NO: 163852-55-9
• Molecular Formula: C₁₀H₁₅NO₄
• Molecular Weight: 213.24
• Product Categories: N-BOC
• Mol File: 163852-55-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 38-39 °C
• Boiling Point: 331.1±25.0 °C(Predicted)
• Appearance: /
• Density: 1.106±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 11.15±0.46(Predicted)
• CAS DataBase Reference: 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI)(163852-55-9)
• EPA Substance Registry System: 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI)(163852-55-9)

Safety Data

• Hazardous Substances Data: 163852-55-9(Hazardous Substances Data)

Usage

General Description

2-Butynoic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI) is a complex organic compound that belongs to the class of chemicals known as acetylenic acids and derivatives. These are compounds containing a carboxylic acid functional group substituted with one acetylenic group. The synthesis of this compound involves the process of esterification, where an ester is formed through a condensation reaction between a carboxylic acid and an alcohol. It also has a carbonyl group, suggesting that it has the potential to participate in various chemical reactions owing to the polarity and reactivity of the C=O group. Its specific applications in industry or research are not widely reported, indicating it is primarily of interest within specialized scientific and technical contexts.

Upstream product

• 92136-39-5 N-tert-Butoxycarbonyl-1-amino-3-propyne 
• 79-22-1 methyl chloroformate 
• 186581-53-3 diazomethane 
• 168762-94-5 4-((tert-butoxycarbonyl)amino)but-2-ynoic acid 
• 1261555-53-6 C₁₁H₂₁NO₂Si 
• 74-88-4 methyl iodide 

Downstream Products

• 1261555-92-3 C₁₈H₂₀BrNO₄ 
• 1261556-01-7 C₁₈H₂₅NO₄ 
• 1261555-99-0 C₁₉H₂₃NO₅ 
• 1261555-91-2 C₁₈H₂₀BrNO₄ 
• 1261555-90-1 C₁₈H₂₀FNO₄ 
• 1261556-10-8 C₁₉H₂₃NO₅ 
• 1261555-87-6 C₂₂H₂₉NO₄ 
• 1261555-95-6 C₁₉H₂₁NO₅ 
• 1261555-86-5 C₁₈H₂₁NO₄ 
• 1261555-96-7 C₁₉H₂₃NO₅ 
• 1261556-11-9 C₂₁H₂₉NO₄Si 

Relevant articles and documents

Total Synthesis of (R)-Sarkomycin Methyl Ester via Regioselective Intermolecular Pauson-Khand Reaction and Iridium-Catalyzed Asymmetric Isomerization

A new five-step enantioselective synthesis of (R)-sarkomycin methyl ester is described. The cyclopentane scaffold was built by a regioselective intermolecular Pauson-Khand reaction. Enantioselectivity was introduced by a novel Ir-catalyzed isomerization reaction. The last steps involved a catalytic hydrogenation of the exocylic double bond, followed by the deprotection and elimination of the amino group. This route is the shortest enantioselective synthesis of this antibiotic reported to date.

An atom-economic synthesis of nitrogen heterocycles from alkynes

A robust route to 2,4-disubstituted pyrrole heterocycles relying upon a cascade reaction is reported. The reaction benefits from operational simplicity: it is air and moisture tolerant and is performed at ambient temperature. Control over the reaction conditions provides ready access to isopyrroles, 2,3,4-trisubstituted pyrroles, and 3-substituted pyrollidin-2-ones.

Stannylcupration of γ-Heterosubstitued Acetylenic Esters: a New Route to 4-Stannylated Five Membered N- and O- Heterocycles.

4-Tributylstannyl,2-(5H)-furanone and pyrrolone have been prepared in good yields by addition of mixed stannylcuprate reagent on γ-amino and γ-hydroxy acetylenis esters.The use of these compounds as useful intermediates for the selective functionalization