(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate

Base Information

• Chemical Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate
• CAS No.: 198545-46-9
• Molecular Formula: C₂₄H₂₀FNO₄
• Molecular Weight: 405.426
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID90941690
• Wikidata: Q72478344
• Mol file: 198545-46-9.mol

Synonyms:(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate;DTXSID90941690;A814004;2-({[(9H-Fluoren-9-yl)methoxy](hydroxy)methylidene}amino)-3-(2-fluorophenyl)propanoate

Chemical Property of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate

Chemical Property:

• Appearance/Colour: off-white to beige crystalline powder
• Vapor Pressure: 3.03E-16mmHg at 25°C
• Melting Point: 145.3 °C
• Refractive Index: 1.622
• Boiling Point: 620.3 °C at 760 mmHg
• PKA: 3.76±0.11(Predicted)
• Flash Point: 328.9 °C
• PSA: 75.63000
• Density: 1.317 g/cm³
• LogP: 4.75100
• Storage Temp.: 2-8°C
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 404.12981125
• Heavy Atom Count: 30
• Complexity: 587

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-D-Phe(2-F)-OH ≥98.0% (HPLC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

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)F
• Isomeric SMILES: C1=CC=C(C(=C1)C[C@H](C(=O)[O-])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F

Technology Process of (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate

There total 4 articles about (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)propanoate 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:

(R)-2'-fluorophenylalanine (97731-02-7,325-69-9) + N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → Fmoc-D-2-fluorophenylalanine (198545-46-9)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water; at 20 ℃;

DOI:10.1007/s00726-020-02915-3

Reference yield:

Z-DL-Phe(2F)OMe (127090-61-3) → Fmoc-D-2-fluorophenylalanine (198545-46-9)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate / water; N,N-dimethyl-formamide / 4 h / 37 °C / pH 9

2: palladium 10% on activated carbon; formic acid / methanol

3: sodium carbonate / water; 1,4-dioxane / 20 °C

With formic acid; palladium 10% on activated carbon; sodium hydrogencarbonate; sodium carbonate; In 1,4-dioxane; methanol; water; N,N-dimethyl-formamide;

DOI:10.1007/s00726-020-02915-3

Reference yield:

2-fluoro-N-benzyloxycarbonyl-D-phenylalanine (7557-34-8) → Fmoc-D-2-fluorophenylalanine (198545-46-9)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; formic acid / methanol

2: sodium carbonate / water; 1,4-dioxane / 20 °C

With formic acid; palladium 10% on activated carbon; sodium carbonate; In 1,4-dioxane; methanol; water;

DOI:10.1007/s00726-020-02915-3

upstream raw materials:

Z-DL-Phe(2F)OMe

2-fluoro-N-benzyloxycarbonyl-D-phenylalanine

(R)-2'-fluorophenylalanine

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

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