14447-15-5

Basic information

• Product Name: Propyl cyanoacetate
• Synonyms: Acetic acid, cyano-, propyl ester;cyanoaceticacidpropylester;CYANOACETIC ACID N-PROPYL ESTER;N-PROPYL CYANOACETATE;PCYA;propyl cyanoacetate;4''-BRORNO-2-CHLOROCHALCONE;Ai3-32563
• CAS NO: 14447-15-5
• Molecular Formula: C₆H₉NO₂
• Molecular Weight: 127.14
• EINECS: 238-424-5
• Mol File: 14447-15-5.mol

Chemical Properties

• Boiling Point: 216 °C
• Flash Point: 108°C
• Appearance: /
• Density: 1,03 g/cm3
• Vapor Pressure: 0.243mmHg at 25°C
• Refractive Index: 1.4200-1.4230
• PKA: 3.10±0.10(Predicted)
• Water Solubility: Insoluble in water
• CAS DataBase Reference: Propyl cyanoacetate(CAS DataBase Reference)
• NIST Chemistry Reference: Propyl cyanoacetate(14447-15-5)
• EPA Substance Registry System: Propyl cyanoacetate(14447-15-5)

Safety Data

• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 14447-15-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Production:
Propyl cyanoacetate is used as an intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs and medicines.
Used in Agrochemical Production:
Propyl cyanoacetate is also utilized in the production of agrochemicals, playing a role in the creation of pesticides and other agricultural products.
Used in Organic Compound Synthesis:
Propyl cyanoacetate is used as a key component in the synthesis of a wide range of organic compounds, highlighting its versatility in the field of chemistry.
Used in Research and Development Laboratories:
Due to its significance in chemical reactions, propyl cyanoacetate is frequently employed in research and development settings, where it aids in the exploration of new chemical pathways and the creation of novel compounds.

InChI:InChI=1/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3

Upstream product

• 71-23-8 propan-1-ol 
• 372-09-8 cyanoacetic acid 

Downstream Products

• 215045-51-5 cyano-hydroxyimino-acetic acid propyl ester 
• 40674-26-8 {(E)-4-[Bis-(2-chloro-ethyl)-amino]-phenylimino}-cyano-acetic acid propyl ester 
• 118528-61-3 propyl α-cyano-4-<2-(4-pyridyl)ethenyl>cinnamate 
• 125655-55-2 n-propyl α-cyano-4-<2-(4-pyrimidyl)ethenyl>cinnamate 
• 109-77-3 malononitrile 
• 790697-54-0 7-cyano-7-(propoxycarbonyl)-1,4-benzoquinonemethide 
• 790697-53-9 4-[1'-cyano-1'-(propoxycarbonyl)methylene]cyclohexanone 
• 302561-09-7 propyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 1114964-08-7 C₂₄H₂₆ClN₅O₇S 
• 1443754-05-9 propyl 2-amino-6-[(6-chloro-3-pyridinylmethyl)ethylamino]-4-(3-fluorophenyl)-1,4-dihydro-1-methyl-5-nitro-3-pyridinecarboxylate 
• 1443754-06-0 propyl 2-amino-6-[(6-chloro-3-pyridinylmethyl)ethylamino]-4-(4-fluorophenyl)-1,4-dihydro-1-methyl-5-nitro-3-pyridinecarboxylate 

Relevant articles and documents

A method for esterification reaction rate prediction of aliphatic monocarboxylic acids with primary alcohols in 1,4-dioxane based on two parametrical taft equation

Esterification reaction rates of aliphatic monocarboxylic acids with primary alcohols in 1,4-dioxane as inert solvent were investigated. Acids were esterified with 1-propanol and alcohols with acetic acid as model reactants at a constant temperature of 60°C, at a fixed ionic strength and pH in a batch reactor with a constant volume. For evaluation of reaction rates, an exact kinetic equation for the equilibrium reaction was applied. Under these conditions and for low reactants, concentrations reaction rate depends only on the structure of reactants and, therefore, can be predicted by a correlation equation with two Taft coefficients (inductive and steric effects). From these equations, it is possible to estimate the esterification reaction rate constant for other acid-alcohol pairs. This methodology may also be suitable for other kinetic systems measured under comparable experimental conditions.

Oxazolyl-acetic acid derivatives and oxazolyl-coumarines

Oxazolyl-acetic acid derivatives of the formula EQU1 wherein A represents the remaining members of an aromatic radical, and R1 and R2 denote hydrogen, carbon-hydrogen radicals or together with the nitrogen atom form a heterocyclic ring, as well as their preparation and moreover oxazolyl-coumarines of the formula SPC1 In which A, z1 and Z2 have the same meaning as above, Y represents hydrogen or a cation, n represents a number 0, 1 or 2, and The coumarine ring system can carry further substituents, with the proviso that in the case where n denotes the number O and A represents an alkyl-substituted benzene radical, this alkyl substituent either possesses at least 2 C atoms or represents a methyl radical, as well as their preparation and their use as dyestuffs.