(2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate

Base Information

• Chemical Name: (2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate
• CAS No.: 374791-03-4
• Molecular Formula: C₂₃H₁₈FNO₄
• Molecular Weight: 391.399
• Hs Code.: 29224985
• DSSTox Substance ID: DTXSID20426541
• Wikidata: Q82239432
• Mol file: 374791-03-4.mol

Synonyms:(2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate;374791-03-4;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(4-fluorophenyl)acetate;DTXSID20426541

Chemical Property of (2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate

Chemical Property:

• Vapor Pressure: 1.4E-15mmHg at 25°C
• Boiling Point: 606.9°Cat760mmHg
• Flash Point: 320.8°C
• PSA: 75.63000
• Density: g/cm³
• LogP: 4.88100
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 390.11416119
• Heavy Atom Count: 29
• Complexity: 564

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-4-fluoro-D-phenylglycine ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CC=C(C=C4)F)C(=O)[O-]
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](C4=CC=C(C=C4)F)C(=O)[O-]

Technology Process of (2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate

There total 3 articles about (2R)-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)(4-fluorophenyl)acetate 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: 100.0%

N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) + (R)-2-(4-fluorophenyl)glycine (93939-74-3) → C23H18FNO4 (374791-03-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; water; at 20 ℃;

DOI:10.1021/acs.jmedchem.6b01796

Reference yield: 100.0%

→ C23H18FNO4 (374791-03-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; water; at 20 ℃;

Reference yield:

(2RS)-N-(p-fluorophenyl)glycine (7292-73-1) + N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → (9H-fluoren-9-ylmethoxycarbonylamino)-(4-fluoro-phenyl)-acetic acid (374791-03-4)

Guidance literature:

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

DOI:10.1021/ja0348391

upstream raw materials:

(2RS)-N-(p-fluorophenyl)glycine

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

(R)-2-(4-fluorophenyl)glycine