Fmoc-D-beta-homovaline

Base Information

• Chemical Name: Fmoc-D-beta-homovaline
• CAS No.: 266318-79-0
• Molecular Formula: C₂₁H₂₃NO₄
• Molecular Weight: 353.418
• European Community (EC) Number: 858-832-2
• Nikkaji Number: J1.180.082C
• Mol file: 266318-79-0.mol

Synonyms:Fmoc-D-beta-homovaline;266318-79-0;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid;Pentanoic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-methyl-, (3S)-;MFCD03095625;FMOC-D--LEU-OH;SCHEMBL119533;AKOS025312420;(S)-3-Fmoc-amino-4-methylpentanoic acid;AC-22102;AS-32595;CS-0060833;N-Fmoc-(S)-3-amino-4-methylpentanoic acid;EN300-816975;A919874;(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanoic acid;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoicacid

Chemical Property of Fmoc-D-beta-homovaline

Chemical Property:

• Boiling Point: 563.9±33.0 °C(Predicted)
• PKA: 4.41±0.10(Predicted)
• PSA: 75.63000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 4.41530
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 353.16270821
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

98.5% ^*data from raw suppliers

Fmoc-D-β-homovaline,99%(HPLC) 99%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Isomeric SMILES: CC(C)[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

Technology Process of Fmoc-D-beta-homovaline

There total 1 articles about Fmoc-D-beta-homovaline 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: 65.0%

→ N-Fmoc-α-isopropyl-β-alanine (266318-79-0)

Guidance literature:

Reference yield:

N-Fmoc-α-isopropyl-β-alanine (266318-79-0) → N-(N-4-amidinobenzoyl-α-isopropyl-β-alanyl)-4-piperidineacetic acid

Guidance literature:

Reference yield:

N-Fmoc-α-isopropyl-β-alanine (266318-79-0) + C44H74N4O14 → C65H95N5O17

Guidance literature:

N-Fmoc-α-isopropyl-β-alanine; With 1-hydroxy-7-aza-benzotriazole; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 1h;

C₄₄H₇₄N₄O₁₄; In dichloromethane; at 20 ℃; for 20h;

DOI:10.1021/acs.jmedchem.1c00327

Refernces