58457-98-0

Basic information

• Product Name: (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate
• Synonyms: (S)-METHYL 2-N-CBZ-3-N-BOC-PROPANOATE;3-[[(1,1-Dimethylethoxy)carbonyl]amino]-N-[(phenylmethoxy)carbonyl]-L-alanine methyl ester;3-(Boc-amino)-N-Cbz-L-alanine methyl ester
• CAS NO: 58457-98-0
• Molecular Formula: C₁₇H₂₄N₂O₆
• Molecular Weight: 352.38
• Product Categories: Amino Acids & Derivatives;Chiral Reagents
• Mol File: 58457-98-0.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 514.325 °C at 760 mmHg
• Flash Point: 264.855 °C
• Appearance: /
• Density: 1.177
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.513
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate(58457-98-0)
• EPA Substance Registry System: (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate(58457-98-0)

Safety Data

• Hazardous Substances Data: 58457-98-0(Hazardous Substances Data)

Usage

Description

(S)-Methyl 2-N-Cbz-3-N-Boc-propanoate, also known as Methyl 2-(S)-[N-[(Benzyloxy)carbonyl]amino-3-[N-[t-butyloxycarbonyl)amino]-propionate, is a chiral compound with a CAS number of 58457-98-0. It is characterized by the presence of a methyl group, a benzyloxycarbonyl (Cbz) group, and a t-butyloxycarbonyl (Boc) group attached to a propanoate backbone. (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate is known for its utility in organic synthesis, particularly in the preparation of complex organic molecules and pharmaceuticals.

Uses

Used in Organic Synthesis:
(S)-Methyl 2-N-Cbz-3-N-Boc-propanoate is used as a synthetic intermediate for the preparation of various organic compounds. Its unique structure, featuring both Cbz and Boc protecting groups, allows for selective deprotection and functionalization reactions, making it a versatile building block in the synthesis of complex organic molecules.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, (S)-Methyl 2-N-Cbz-3-N-Boc-propanoate is used as a key component in the synthesis of chiral drugs and drug candidates. The chiral center present in this compound ensures that the final product has the desired stereochemistry, which is crucial for the biological activity and efficacy of many pharmaceuticals.
Used in Chiral Chemistry Research:
(S)-Methyl 2-N-Cbz-3-N-Boc-propanoate is also utilized in research related to chiral chemistry. Its unique structure allows researchers to study the effects of stereochemistry on reaction mechanisms, selectivity, and the properties of the resulting compounds. This knowledge can be applied to the development of new synthetic methods and the design of novel chiral molecules with potential applications in various fields.

InChI:InChI=1/C17H24N2O6/c1-17(2,3)25-15(21)18-10-13(14(20)23-4)19-16(22)24-11-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,21)(H,19,22)/t13-/m0/s1

Upstream product

• 186581-53-3 diazomethane 
• 16947-84-5 N-[(benzyloxy)carbonyl]-3-[(tert-butoxycarbonyl)amino]-L-alanine 
• 75-09-2 dichloromethane 
• 24424-99-5 di-tert-butyl dicarbonate 
• 35761-27-4 methyl (2S)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoate hydrochloride 
• 159002-15-0 (S)-2-(benzyloxycarbonylamino)-3-(tert-butoxycarbonylamino)propionoic acid 
• 74-88-4 methyl iodide 
• 74536-29-1 (S)-2-amino-3-((tert-butoxycarbonyl)amino)propanoic acid 
• 16947-86-7 N^α-Tosyl-N^β-(tert-butpxycarbonyl)-L-α,β-diamonopropionic acid 
• 1070-19-5 N-(tert-butyloxycarbonyl) azide 
• 23632-66-8 (4S)-3-benzyloxycarbonyl-4-carboxymethyl-1,3-oxazolidin-5-one 
• 75760-11-1 (S)-methyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate 
• 126046-25-1 (S)-3-Benzyloxycarbonyl-4-<(N-tert-butoxycarbonyl)aminomethyl>-5-oxazolidinone 
• 501-53-1 benzyl chloroformate 

Downstream Products

• 35761-27-4 methyl (2S)-3-amino-2-{[(benzyloxy)carbonyl]amino}propanoate hydrochloride 
• 16947-84-5 N-[(benzyloxy)carbonyl]-3-[(tert-butoxycarbonyl)amino]-L-alanine 
• 138093-74-0 (S)-2-Benzyloxycarbonylamino-3-(tert-butoxycarbonyl-methyl-amino)-propionic acid methyl ester 
• 138093-73-9 2-benzyloxycarbonylamino-3-methylamino-propionic acid methyl ester 
• 138093-86-4 N^α-(benzyloxycarbonyl)-N^β-(tert-butoxycarbonyl)-N^β-methyl-L-α,β-diaminopropionylglycyl-N⁵,N⁸-bis(tert-butoxycarbonyl)spermidine 
• 130581-75-8 N^α-(benzyloxycarbonyl)-N^β-(tert-butoxycarbonyl)-N^β-methyl-L-α,β-diaminopropionic acid 
• 77087-65-1 (S)-2-({(R)-1-[(S)-2-(2-Benzyloxycarbonylamino-acetylamino)-3-phenyl-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-tert-butoxycarbonylamino-propionic acid 2,4,5-trichloro-phenyl ester 
• 77087-64-0 methyl N-(benzyloxycarbonyl)glycyl-L-phenylalanyl-D-prolyl-N^β-(tert-butoxycarbonyl)-L-α,β-diaminopropanoate 
• 77087-66-2 (S)-2-({(R)-1-[(S)-2-(2-Amino-acetylamino)-3-phenyl-propionyl]-pyrrolidine-2-carbonyl}-amino)-3-tert-butoxycarbonylamino-propionic acid 2,4,5-trichloro-phenyl ester 
• 77100-18-6 cyclo(glycyl-L-phenylalanyl-D-prolyl-N^β-(tert-butoxycarbonyl)-L-α,β-diaminopropanoyl) 
• 126046-29-5 (S)-3-tert-Butoxycarbonylamino-2-((S)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionylamino)-propionic acid methyl ester 
• 126046-28-4 (S)-3-tert-Butoxycarbonylamino-2-((R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionylamino)-propionic acid methyl ester 
• 169604-92-6 (S)-3-tert-Butoxycarbonylamino-2-(toluene-4-sulfonylamino)-propionic acid methyl ester 
• 199005-71-5 {(S)-1-[(S)-1-((S)-2-tert-Butoxycarbonylamino-1-formyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester 

Relevant articles and documents

Sulfate Encapsulation in Supramolecular Structures from L -Asparagine-Derived 2,5-Diketopiperazine Scaffolds: Anion Binding

We report a new sulfate receptor, anchored onto 2,5-diketopiperazine units, which results in the formation of two types of supramolecules; one in which the sulfate ion guest fits snugly into extended cavities and the other in which the guest is sandwiched between layers. In each case, the anion is held by six hydrogen bonds from the host. 1H NMR spectroscopic solution studies enabled the construction of Job plots, and calculation of stoichiometry and association constants. These findings are of possible significance in drug design and for construction of combinatorial libraries.

ETHER DERIVATIVE

The present invention relates to an ether derivative represented by the formula (I), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description, and an ether derivative represented by the formula (III), a pharmaceutically acceptable salt thereof, a hydrate thereof or a solvate thereof wherein each symbol is as defined in the description; a pharmaceutical composition containing the ether derivative; and a package containing the pharmaceutical composition and a description of use thereof. A pharmaceutical composition of the present invention, which contains this compound of the present invention has a superior anti-inflammatory and analgesic activity and is useful as various pharmaceutical agents such as an anti-inflammatory agent, an analgesic, a therapeutic agent for inflammatory bowel disease, a therapeutic agent for pollakiuria and/or incontinentia, a therapeutic agent for asthma and the like.

MODULATORS OF CELLULAR ADHESION

The present invention provides compounds having formula (I): and pharmaceutically acceptable derivatives thereof, wherein R1-R4, n, p, A, B, D, E, L and AR1 are as described generally and in classes and subclasses herein, and additionally provides pharmaceutical compositions thereof, and methods for the use thereof for the treatment of disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1).