Leu-beta-Ala

Base Information

• Chemical Name: Leu-beta-Ala
• CAS No.: 30806-09-8
• Molecular Formula: C9H18N2O3
• Molecular Weight: 202.254
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID001315929
• Wikidata: Q27144708
• Mol file: 30806-09-8.mol

Synonyms:Leu-beta-Ala;30806-09-8;beta-Alanine, L-leucyl-;L-leucyl-beta-alanine;H-Leu-beta-Ala-OH;3-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoic acid;H-Leu-Bala-OH;L-Leu-beta-Ala;leucyl-beta-alanine;CHEBI:74527;DTXSID001315929;(S)-3-(2-amino-4-methylpentanamido)propanoic acid;Q27144708

Chemical Property of Leu-beta-Ala

Chemical Property:

• Vapor Pressure: 2.38E-08mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 423.3 °C at 760 mmHg
• Flash Point: 209.8 °C
• PSA: 92.42000
• Density: 1.11 g/cm³
• LogP: 1.04190
• Storage Temp.: −20°C
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 202.13174244
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

99% ^*data from raw suppliers

L-LEUCYL-BETA-ALANINE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NCCC(=O)O)N
• Isomeric SMILES: CC(C)C[C@@H](C(=O)NCCC(=O)O)N

Technology Process of Leu-beta-Ala

There total 3 articles about Leu-beta-Ala which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N-(2-bromo-4-methyl-valeryl)-β-alanine → N-leucyl-β-alanine (30806-09-8)

Guidance literature:

With ethanol; ammonia; at 37 - 40 ℃;

Reference yield:

3-amino-propionic acid ethyl ester (924-73-2) → L-leucyl-β-alanine (30806-09-8)

Guidance literature:

With diethyl ether; ethyl acetate; Durch Verseifung des Reaktionsprodukts mit wss.-methanol. NaOH und anschliessende Hydrogenolyse an Palladium in Essigsaeure enthaltendem Methanol;

Reference yield:

→ L-leucyl-β-alanine (30806-09-8)

Guidance literature:

upstream raw materials:

3-amino-propionic acid ethyl ester

Downstream raw materials:

C₁₆H₂₂FN₃O₆S

C₁₇H₂₅N₃O₆S

1-hippuroyl-L-proline

Refernces