63038-26-6

Basic information

• Product Name: methyl (2S)-2-amino-3,3-dimethylbutanoate
• Synonyms: (S)-Methyl 2-aMino-3,3-diMethylbutanoate;L-tert-leucine Methyl ester HCl;L-tert-Leucine Methyl Ester;methyl (2S)-2-amino-3,3-dimethylbutanoate;(S)-TERT-LEUCINE METHYL ESTER;L-VALINE, 3-METHYL-, METHYL ESTER;L-tert-Leucine Methyl Ester;(S)-methyl 2-amino-3,3-dimethylbutanoate(WXG02636)
• CAS NO: 63038-26-6
• Molecular Formula: C₇H₁₅NO₂
• Molecular Weight: 145.2
• Mol File: 63038-26-6.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 69°C/16mmHg(lit.)
• Appearance: /
• Density: 0.957±0.06 g/cm3(Predicted)
• Refractive Index: 1.4300 to 1.4340
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: 8.01±0.37(Predicted)
• CAS DataBase Reference: methyl (2S)-2-amino-3,3-dimethylbutanoate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl (2S)-2-amino-3,3-dimethylbutanoate(63038-26-6)
• EPA Substance Registry System: methyl (2S)-2-amino-3,3-dimethylbutanoate(63038-26-6)

Safety Data

• RIDADR: UN 1993 3/PG III
• HazardClass: IRRITANT
• PackingGroup: III
• Hazardous Substances Data: 63038-26-6(Hazardous Substances Data)

Usage

General Description

Methyl (2S)-2-amino-3,3-dimethylbutanoate is a chemical compound with the molecular formula C7H15NO2. It is a methyl ester derivative of the amino acid leucine and is commonly used in the synthesis of pharmaceuticals and biochemical research. methyl (2S)-2-amino-3,3-dimethylbutanoate is a key intermediate in the synthesis of various pharmaceuticals, as well as in the production of flavors and fragrances. Methyl (2S)-2-amino-3,3-dimethylbutanoate plays a crucial role in the development of new drugs and is also used as a chiral building block in organic synthesis. Additionally, it is important in the research and development of new materials and chemicals.

Upstream product

• 186581-53-3 diazomethane 
• 20859-02-3 L-tert-Leucine 
• 87900-23-0 (S)-2-tert-Butyl-3,6-dimethoxy-5-methyl-2,5-dihydro-pyrazine 
• 176504-88-4 2-tert-butoxycarbonylamino-3,3-dimethylbutyric acid methyl ester 
• 62965-35-9 N-tert-butyloxycarbonyl-L-tert-leucine 
• 84907-92-6 L-tert-Leu-Gly-OCH₃ 
• 65050-07-9 Cyclo(L-tert-Leu-Gly) 
• 62965-57-5 (S)-(+)-2-amino-3,3-dimethylbutanamide 
• 630-19-3 pivalaldehyde 
• 138387-11-8 (2S,5R)-2-tert-Butyl-5-<(E)-4-chloro-2-butene-1-yl>-2,5-dihydro-3,6-dimethoxypyrazine 
• 84907-93-7 (3S)-3-t-Butyl-2,5-dimethoxy-3,6-dihydropyrazine 
• 62965-10-0 (S)-N-carbobenzoxy-tert-butylleucine 
• 141970-45-8 (S)-2-benzyloxycarbonylamino-3,3-dimethyl-butyric acid methyl ester 
• 138387-15-2 (1S,3R,6S)-6-tert-Butyl-1-ethyl-3,6-dihydro-5,8-dimethoxy-4,7-diazaspiro<2.5>octane 

Downstream Products

• 20859-02-3 L-tert-Leucine 
• 176504-88-4 2-tert-butoxycarbonylamino-3,3-dimethylbutyric acid methyl ester 
• 916431-35-1 (S)-2-(2-Iodo-benzoylamino)-3,3-dimethyl-butyric acid methyl ester 
• 137649-36-6 N-phthaloyl-(S)-tert-leucine methyl ester 
• 1086106-25-3 N-{3-[(S)-5-tert-butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1-methyl-1-oxo-1λ⁶-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide 
• 1086106-33-3 (S)-5-tert-butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-3-(1-methyl-7-nitro-1-oxo-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-1,5-dihydro-pyrrol-2-one 
• 1086106-34-4 (S)-3-(7-amino-1-methyl-1-oxo-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-5-tert-butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-1,5-dihydro-pyrrol-2-one 
• 1052703-99-7 (S)-2-[(3-chloro-4-fluoro-benzyl)-(2-ethoxycarbonyl-acetyl)-amino]-3,3-dimethyl-butyric acid methyl ester 
• 1086106-45-7 (S)-5-tert-butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester 
• 89226-12-0 (S)-2-amino-N,3,3-trimethylbutanamide 
• 402958-93-4 (S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyric acid methyl ester 
• 1367554-94-6 C₁₄H₁₈F₃NO₂ 
• 1307885-17-1 (S)-5-tert-butyl-3-((S)-pyrrolidin-2-ylmethyl)-2-thioxoimidazolidin-4-one 

Relevant articles and documents

Organocatalytic ?±-addition of isocyanides to aldehydes

?±-Hydroxyamide is an important chemical component widely observed in biologically active natural products. One of the most direct methods to access a ?±-hydroxyamide is the Passerini-type reaction. However, this catalytic process was limited. Herein, we

Structure-activity relationships of the peptide deformylase inhibitor BB-3497: Modification of the P2′ and P3′ side chains

Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to both the P2′ and P3′ side chains. Enzyme inhibition and antibacterial activity data revealed that a variety of substituents are tolerated at the P2′ and P3′ positions of the inhibitor backbone. The data from this study highlights the potential for modification at the P2′ and P3′ positions to optimise the physicochemical properties.

Molecular Structure of a Chiral 3,5-Bridged Pyridine and the Effect of Structure on Circular Dichroic Spectra

The crystal structure of the 3,5-bridged chiral macrocyclic pyridine (4S,14S)-4,14-di(2-propyl)-6,9,12-trioxa-3,15,19-triazabicycloheneicosa-1(21),17,19-triene-2,5,13,16-tetrone (5a) has been determined by crystallographic means.Each unit cell contains two nonequivalent molecules.In each molecule the amide groups are twisted out-of-plane in a conrotatory fashion righ-handedly with respect to the molecular C2 axis viewed along the line from C4 to N1 of the pyridine ring.This twist allows avoidance of potential interaction between the amide nitrogen bonded protons and that bonded to C4 of the pyridine ring.The macrocyclic framework is inherently dissymmetric as a result of this helical twist.This is reflected in the circular dichroism spectrum of 5a, which has two strongly negative effects in the 200-400-nm region, at 218 nm, -58800 and 273 nm, -45600.Very similar CD effects are found for analogues of 5a with at the chiral atoms at the 4,14-positions, methyl groups (6a), tert-butyl groups (6b), and proline (7).Comparison are also made with compounds (8b) derived (in thought) from 5a by transposition of the macrocyclic bridge from the 3,5- to the 2,6-positions.Compound 8a is analogous to 8b save that it is a benzene rather than a pyridine derivative.Several nonmacrocyclic analogues of 5a have also been examined as well as the thiamide derivative of 5a (compound 9) for which a synthesis has been developed.The longer wavelength CD effect in 5a is assigned to the pyridine n-?* transition and the shorter wavelength effect to ?-?* transitions.Attempts to correlate the absolute signs with a recently postulated model fail.A method for synthesis of the unnatural amino acids, (S)-(+)-2-amino-3,3,-dimethylbutanoic acid (13), in enantiomerically pure form is described as well as an NMR method for the determination of the enantiomeric purity of samples of 13.