252919-08-7

Basic information

• Product Name: N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine
• Synonyms: N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine;N-Cbz-N-Bzl-Beta-Alanine;N-Benzyl-N-Cbz-beta-alanine;N-[(PhenylMethoxy)carbonyl]-N-(phenylMethyl)-β-alanine;3-(benzyl-benzyloxycarbonyl-aMino)propanoic acid
• CAS NO: 252919-08-7
• Molecular Formula: C₁₈H₁₉NO₄
• Molecular Weight: 313
• Mol File: 252919-08-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 506.8±49.0 °C(Predicted)
• Appearance: /
• Density: 1.232
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.45±0.10(Predicted)
• CAS DataBase Reference: N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine(CAS DataBase Reference)
• NIST Chemistry Reference: N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine(252919-08-7)
• EPA Substance Registry System: N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine(252919-08-7)

Safety Data

• Hazardous Substances Data: 252919-08-7(Hazardous Substances Data)

Usage

General Description

N-[(Phenylmethoxy)carbonyl]-N-(phenylmethyl)-beta-alanine is a chemical compound featuring an amine group, a carboxylic acid group, and a carbonyl group in its structure. This molecule belongs to the class of organic compounds known as N-acyl-alpha amino acids, which are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It is an extremely strong acidic compound noted for its clear to yellow color. It is not widely discussed or referenced in scientific literature or commercial applications, so very little information is immediately available about its properties, uses or safety details.

Upstream product

• 2304-94-1 3-(benzyloxycarbonylamino)propanoic acid 
• 100-39-0 benzyl bromide 
• 100-46-9 benzylamine 
• 23574-01-8 3-benzylamino-propionic acid methyl ester 
• 1254985-66-4 C₁₉H₂₁NO₄ 

Downstream Products

• 252919-12-3 (2R,3S)-2-({benzyl[(benzyloxy)carbonyl]amino}methyl)-3-(tert-butoxycarbonyl)-5-hexenoic acid 
• 252919-09-8 benzyl benzyl{3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl}carbamate 
• 252919-24-7 1-benzyl 4-tert-butyl (2R,3S)-2-({benzyl[(benzyloxy)carbonyl]amino}methyl)-3-(2-oxoethyl)butanedioate 
• 252919-23-6 4-benzyl 1-tert-butyl (2S,3R)-2-allyl-3-({benzyl[(benzyloxy)carbonyl]amino}methyl)butanedioate 
• 1431557-84-4 C₂₁H₂₅NO₅ 
• 1431557-87-7 C₂₂H₂₇NO₇S 
• 1431557-90-2 C₂₀H₂₃N₃O₃ 
• 1431557-93-5 C₂₈H₂₉N₃O₅ 
• 1431557-94-6 C₂₅H₃₁N₃O₅ 
• 1431557-97-9 C₂₉H₃₁N₃O₅ 
• 1431557-98-0 C₂₇H₃₅N₃O₅ 
• 1431557-99-1 C₃₂H₃₇N₃O₅ 
• 1431558-05-2 C₂₂H₂₇N₃O₃ 
• 1431558-06-3 C₂₇H₂₉N₃O₃ 

Relevant articles and documents

TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF

A compound represented by Formula [I]: or pharmaceutically acceptable salt thereof, wherein each symbol is as defined in the description.

Asymmetric synthesis of trans-2,3-piperidinedicarboxylic acid and trans-3,4-piperidinedicarboxylic acid derivatives

Asymmetric syntheses of (2S,3S)-3-(tert-butoxycarbonyl)-2-piperidinecarboxylic acid (1b), (3R,4S)-4-(tert-butoxycarbonyl)-3-piperidinecarboxylic acid (2b), and their corresponding N-Boc and N-Cbz protected analogues 8a,b and 17a,b are described. Enantiomerically pure 1b has been synthesized in five steps starting from L-aspartic acid β-tert-butyl ester. Tribenzylation of the starting material followed by alkylation with allyl iodide using KHMDS produces the key intermediate 5a in a 6:1 diastereomeric excess. Upon hydroboration, the alcohol 6a is oxidized, and the resulting aldehyde 7 is subjected to a ring closure via reductive amination, providing 1b in an overall yield of 38%. Optically pure 2b has been synthesized beginning with N-Cbz-β-alanine. The synthesis involves the induction of the first stereogenic center using Evans's chemistry and sequential LDA-promoted alkylations with tert-butyl bromoacetate and allyl iodide. Further elaboration by ozonolysis and reductive amination affords 2b in an overall yield of 28%.