2003-76-1

Basic information

• Product Name: N-Methyl-N-phenyl-beta-alanine ethyl ester
• Synonyms: N-Methyl-N-[2-(ethoxycarbonyl)ethyl]aniline;N-Methyl-N-phenyl-beta-alanine ethyl ester
• CAS NO: 2003-76-1
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.26888
• Mol File: 2003-76-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 105-109℃ (0.2 Torr)
• Flash Point: 112.7±14.0℃
• Appearance: Orange/Liquid
• Density: 1.052±0.06 g/cm3 (20 ºC 760 Torr)
• PKA: 5.22±0.50(Predicted)
• CAS DataBase Reference: N-Methyl-N-phenyl-beta-alanine ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: N-Methyl-N-phenyl-beta-alanine ethyl ester(2003-76-1)
• EPA Substance Registry System: N-Methyl-N-phenyl-beta-alanine ethyl ester(2003-76-1)

Safety Data

• Hazardous Substances Data: 2003-76-1(Hazardous Substances Data)

Usage

General Description

N-Methyl-N-phenyl-beta-alanine ethyl ester is a chemical compound that falls into the class of beta-alanine derivatives. It is a methylated and phenylated form of beta-alanine, an amino acid that is used as a component in the synthesis of carnosine, a dipeptide found in muscle tissues. N-Methyl-N-phenyl-beta-alanine ethyl ester is also an ethyl ester, meaning it contains an ethyl group attached to the carboxyl group of beta-alanine, which can enhance its bioavailability and potential as a supplement. N-Methyl-N-phenyl-beta-alanine ethyl ester may have applications in sports nutrition and muscle performance due to its potential role in increasing carnosine levels and buffering capacity in muscle tissue. However, its safety, efficacy, and potential side effects should be further studied and understood before its use as a dietary supplement.

Upstream product

• 105-36-2 ethyl bromoacetate 
• 15497-51-5 N-((1H-benzo(d)(1,2,3)triazol-1-yl)methyl)-N-methylaniline 
• 100-61-8 N-methylaniline 
• 623-47-2 propynoic acid ethyl ester 
• 2003-77-2 3,6-Di--1,2,5-trithia-cycloheptadien-dicarbonsaeure-(4,7)-diethylester 
• 140-88-5 ethyl acrylate 

Downstream Products

• 97641-44-6 1,1-diphenyl-3-methylanilinopropene 
• 72311-95-6 3-(N-methyl-anilino)-1,1-diphenyl-propan-1-ol 

Relevant articles and documents

Tin-Catalyzed Selective Reductive Hydroamination of Alkynes for the Synthesis of Tertiary Amines

A unique preference of tin(II) for aniline activation is disclosed. In the present work tin(II) triflate-catalyzed highly selective Markovnikov reductive hydroamination of internal as well as terminal alkynes is reported. The mechanistic study revealed the involvement of two steps in one pot wherein alkyne reduces to corresponding alkene in presence of PMHS as reducing agent followed by hydroamination of alkene. A broad range of alkynes transformed into tertiary amines with good to excellent yield. This method is equally applicable in synthesis of secondary amines.

SYNERGISTS

Compounds of formula (I): wherein Ar represents an, optionally substituted, aryl or heteroaryl group, R represents an, optionally substituted, aryl or heteroaryl group, an optionally substituted straight or branched chain C1.10-alkyl, R1/

The preparation of functionalized amines and amides using benzotriazole derivatives and organozinc reagents

Secondary and tertiary amines 6 are conveniently prepared in good yields by reacting organozinc halides with adducts 4, which are derived from the corresponding amines, aldehydes and benzotriazole. The use of organozinc reagents enables the introduction of nitro, cyano or ester functionalities into amine mainframes. This methodology was also used to prepare functionalized amides 8.