FMOC-L-2-Chlorophe

Base Information

• Chemical Name: FMOC-L-2-Chlorophe
• CAS No.: 198560-41-7
• Molecular Formula: C₂₄H₂₀ClNO₄
• Molecular Weight: 421.88
• Hs Code.: 2924299090
• European Community (EC) Number: 811-646-5
• DSSTox Substance ID: DTXSID40375784
• Wikidata: Q72478204
• Mol file: 198560-41-7.mol

Synonyms:Fmoc-Phe(2-Cl)-OH;Fmoc-L-2-Chlorophe;Fluorenylmethoxycarbonyl-L-2-chlorophenylalanine;

Chemical Property of FMOC-L-2-Chlorophe

Chemical Property:

• Vapor Pressure: 2.64E-17mmHg at 25°C
• Melting Point: 158 °C
• Refractive Index: 1.637
• Boiling Point: 640.9 °C at 760 mmHg
• PKA: 3.72±0.11(Predicted)
• Flash Point: 341.4 °C
• PSA: 75.63000
• Density: 1.337 g/cm³
• LogP: 5.26530
• Storage Temp.: 2-8°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 421.1080858
• Heavy Atom Count: 30
• Complexity: 592

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-2-chloro-L-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)Cl
• Uses: Fmoc-L-2-chloroPhe-OH

Technology Process of FMOC-L-2-Chlorophe

There total 2 articles about FMOC-L-2-Chlorophe 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:

rac-2-chlorophenylalanine (14091-11-3,80126-50-7) + N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → 3-(2-chloro-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid (198560-41-7,678991-52-1)

Guidance literature:

With phosphate buffer; In N,N-dimethyl-formamide; at 0 ℃; for 24h; pH=9 - 10;

DOI:10.1021/ja0348391

Reference yield:

→ 3-(2-chloro-phenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid (198560-41-7,678991-52-1)

Guidance literature:

Reference yield: 84.0%

(2S)-3-(2-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (198560-41-7,678991-52-1) + C13H18N2O3 → C37H36ClN3O6

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 20 ℃; for 17h;

upstream raw materials:

rac-2-chlorophenylalanine

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide