86867-14-3

Basic information

• Product Name: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
• Synonyms: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
• CAS NO: 86867-14-3
• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24
• Mol File: 86867-14-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: 146-148 °C
• Boiling Point: 409°C at 760 mmHg
• Flash Point: 201.2°C
• Appearance: /
• Density: 1.216g/cm³
• Vapor Pressure: 2E-07mmHg at 25°C
• Refractive Index: 1.597
• PKA: 3.35±0.10(Predicted)
• CAS DataBase Reference: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-(86867-14-3)
• EPA Substance Registry System: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-(86867-14-3)

Safety Data

• Hazardous Substances Data: 86867-14-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H13NO3/c1-13(2)10-5-3-9(4-6-10)11(14)7-8-12(15)16/h3-8H,1-2H3,(H,15,16)/b8-7+

Upstream product

• 87-69-4 tartaric acid 
• 2124-31-4 4'-dimethylaminoacetophenone 
• 100-06-1 1-(4-methoxyphenyl)ethanone 
• 100-66-3 methoxybenzene 

Downstream Products

• 1017610-62-6 (αS,1S)-α-[N-(1-methyl)benzyl]-β-[4'-(dimethylamino)benzoyl]alanine 

Relevant articles and documents

Stereoselective syntheses of fluorescent non-natural aromatic amino acids based on asymmetric michael additions

Four fluorescent non-natural aromatic amino acids have been synthesized based on a key stereoselective Michael addition reaction. S-1-Phenylethylamine was employed as both the source of amine and the stereoselectivity controller. The overall yields were m

Amide derivatives

Amide derivatives of the formula: STR1 wherein either R 1 is aryl or heterocyclic and A 1 is a direct link, or R 1 is aryl or heterocyclic, or hydrogen, or halogeno, hydroxy, amino, guanidino, mercapto, carboxy, carbamoyl, or a substituted derivative thereof, and A 1 is alkylene, alkenylene, cycloalkylene or cycloalkenylene; wherein X is carbonyl or hydroxymethylene or substituted derivatives thereof; wherein A 2 is alkylene, alkenylene or alkylidene; wherein R 2 is hydrogen or alkyl which is unsubstituted or which bears an aryl substituent, or R 2 has the formula --Q 2 --R 20 as defined below; wherein R 3 is hydrogen, alkyl or a carbonyl-containing group; wherein R 4 is hydrogen or alkyl which is unsubstituted or which bears a halogeno, hydroxy, amino, guanidino, carboxy, carbamoyl, mercapto, alkoxy, alkylamino, dialkylamino, cyclic amino, alkylthio, alkanoylamino, alkoxycarbonylamino, alkoxycarbonyl, alkoxycarbonyl, aryl or heterocyclyl substituent;wherein --NR 5 --CR 6 R 16 --Q 1 --R 10 is an amino acid residue, R 5, R 6 and R 16 being defined in claim 1, wherein Q 1 and Q 2, which may be the same or different, each is carbonyl (--CO--) or methylene (--CH 2 --); and wherein R 10 and R 20, which may be the same or different, is hydroxy, amino or a substituted derivative thereof or hydroxyamino or arylthio; or a salt thereof where appropriate; processes for their manufacture and pharmaceutical compositions containing them. The compounds are inhibitors of angiotensin converting enzyme and may be used in the treatment of hypertension.