1113-49-1

Basic information

• Product Name: ethyl 2-methylalaninate
• Synonyms: ethyl 2-methylalaninate;2-Amino-2-methylpropanoic acid ethyl ester;2-Amino-2-methylpropionic acid ethyl ester;2-Methyl-2-aminopropionic acid ethyl ester
• CAS NO: 1113-49-1
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 131.17292
• EINECS: 214-204-4
• Mol File: 1113-49-1.mol

Chemical Properties

• Melting Point: 155-157 °C
• Boiling Point: 145.7°Cat760mmHg
• Flash Point: 20.7°C
• Appearance: /
• Density: 0.973g/cm³
• Vapor Pressure: 4.8mmHg at 25°C
• Refractive Index: 1.434
• PKA: 8.15±0.25(Predicted)
• CAS DataBase Reference: ethyl 2-methylalaninate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2-methylalaninate(1113-49-1)
• EPA Substance Registry System: ethyl 2-methylalaninate(1113-49-1)

Safety Data

• Hazardous Substances Data: 1113-49-1(Hazardous Substances Data)

Usage

Uses

Used in Flavor and Fragrance Industry:
Ethyl 2-methylalaninate is used as a flavoring agent for its pleasant, fruity odor, enhancing the aroma of various food products and contributing to the creation of unique fragrances in the perfumery industry.
Used in Pharmaceutical Industry:
Ethyl 2-methylalaninate is studied for its potential application in pharmaceuticals, where it may serve as an active ingredient or intermediate in the synthesis of medicinal compounds, leveraging its unique chemical properties and low toxicity.
Used in Organic Synthesis:
As a chiral building block, ethyl 2-methylalaninate is utilized in organic synthesis to construct complex organic molecules with specific stereochemistry. This is particularly important in the development of enantioselective catalysts and the synthesis of chiral pharmaceuticals.

InChI:InChI=1/C6H13NO2/c1-4-9-5(8)6(2,3)7/h4,7H2,1-3H3

Upstream product

• 130146-17-7 C₁₃H₁₇NO₂ 
• 64-17-5 ethanol 
• 62-57-7 2-Aminoisobutyric acid 
• 19355-69-2 2-amino-2-cyanopropane 

Downstream Products

• 15030-72-5 Z-Aib-OH 
• 109221-32-1 α-phenoxycarbonylamino-isobutyric acid ethyl ester 
• 42930-56-3 2-(2-Benzoylamino-2-methyl-propionylamino)-2-methyl-propionic acid ethyl ester 
• 106914-07-2 α amino isobutyryl methylamide 
• 124-68-5 2-Amino-2-methyl-1-propanol 
• 334537-37-0 ethyl [(benzyloxy)carbonyl]-dimethylglycyl-dimethylglycinate 
• 869672-41-3 N-meta-ferrocenyl benzoyl 2-aminoisobutyric acid ethyl ester 
• 1142005-78-4 2-{3-[6-(2-methoxy-phenyl)-pyrimidin-4-yl]-ureido}-2-methyl-propionic acid ethyl ester 
• 807640-36-4 alanine, N-[[2-[[6-(2-aminoethoxy)-7-methoxy-4-quinazolinyl]amino]-4-chlorophenyl]acetyl]-2-methyl-, ethyl ester 
• 1056010-58-2 alanine, N-[(4-chloro-2-nitrophenyl)acetyl]-2-methyl-, ethyl ester 
• 852948-40-4 di-N-(1-ethoxycarbonyl-1-methylethylamino)[3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phenoxy]methylphosphonamide 

Relevant articles and documents

Novel tenofovir mixed ester-amide prodrugs

The invention relates to novel tenofovir mixed ester-amide prodrugs or pharmaceutically acceptable salts thereof, a preparation method thereof, pharmaceutical compositions containing the prodrug compounds, and application of the prodrugs in preparation of drugs for treating virus infection such as hepatitis B virus (HBV) or human immunodeficiency virus (HIV) infection.

Synthesis and use of achiral oxazolidine-2-thiones in selective preparation of trans 2,5-disubstituted tetrahydrofurans

The use of achiral N-acetyloxazolidine-2-thiones in the C-glycosylation of lactol acetates has allowed us to prepare with high diastereoselectivity the expected trans 2,5-disubstituted tetrahydrofurans. A study based on the role of the steric hindrance of the N-acetyloxazolidine-2-thiones is reported. Wiley-VCH Verlag GmbH & Co. KGaA, 2009.

ANTIFUNGAL AGENTS

Compounds of formula (I), and pharmaceutically acceptable salts thereof, may be used in therapy, for example as antifungal agents: (I) wherein: Rl, R2, R3, R4, R5, R6, R7, X and X1 are as defined herein. Certain compounds of formula (I) are also provided. Compounds of formula (T), and agriculturally acceptable salts thereof, may also be used as agricultural fungicides.

Conformational Study of Heteropentapeptides Containing an α-Ethylated α,α-Disubstituted Amino Acid: (S)-Butylethylglycine (=2-Amino-2-ethylhexanoic Acid) within a Sequence of Dimethylglycine (= 2-Aminoisobutyric Acid) Residues

Heteropentapeptides containing the α-ethylated α,α-disubstituted amino acid (S)-butylethylglycine and four dimethylglycine residues, i.e., CF3CO-[(S)-Beg]-(Aib)4-OEt (4) and CF3CO-(Aib)2-[(S)-Beg]-(Aib)2OEt (7), were synthesized by conventional solution methods. In the solid state, the preferred conformation of 4 was shown to be both a right-handed (P) and a left-handed (M) 310-helical structure, and that of 7 was a right-handed (P) 310-helical structure. IR, CD, and 1H-NMR spectra revealed that the dominant conformation of both 4 and 7 in solution was the 310-helical structure. These conformations were also supported by molecular-mechanics calculations.

BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS

This invention is directed to benzamidine derivatives substituted by amino acid and hydroxy acid derivatives which are useful as anti-coagulants. This invention is also directed to pharmaceutical compositions containing the compounds of the invention, and methods of using the compounds to treat disease-states characterized by thrombotic activity.

Synthesis of 1,1-Diphenylaminoalcohols

The synthesis of 2-amino-2-methyl-1,1-diphenyl-1-propanol (2a) and some of its aryl- and N-substituted derivatives from amino acid esters and Grignard compounds is described.The limits of this synthesis are reported, and so are other methods for the synthesis of amino alcohols.