3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid

Base Information

• Chemical Name: 3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid
• CAS No.: 284493-56-7
• Molecular Formula: C₁₄H₁₈FNO₄
• Molecular Weight: 283.3
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80373542
• Mol file: 284493-56-7.mol

Synonyms:284493-56-7;3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid;3-N-Boc-3-(2-fluorophenyl)propionic acid;3-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoic acid;3-N-Boc-amino-3-(2-fluorophenyl)propionic acid;3-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid;MFCD02090698;924823-26-7;3-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid;3-{[(tert-butoxy)carbonyl]amino}-3-(2-fluorophenyl)propanoic acid;(3S)-3-(2-Fluorophenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;3-N-Boc-3-(2-fluorophenyl)propionicacid;Boc-beta-Phe(2-F)-OH;3-(Boc-amino)-3-(2-fluorophenyl)propionicAcid;SCHEMBL1157183;DTXSID80373542;3-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid;AKOS009462064;AB15171;AB15231;AS-31820;SY014494;CS-0273165;FT-0644337;FT-0771201;FT-0771653;EN300-1071823;A876716;BENZYLMETHYL(PIPERIDIN-4-YLMETHYL)-CARBAMATE;BOC-3R-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID;BOC-3S-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID;3-tert-Butoxycarbonylamino-3-(2-fluoro-phenyl)-propionic acid;3-(tert-Butoxycarbonylamino)-3-(2-fluorophenyl)propionic acid

Chemical Property of 3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid

Chemical Property:

• Vapor Pressure: 8.49E-08mmHg at 25°C
• Melting Point: 142-144°C
• Refractive Index: 1.516
• Boiling Point: 419.8°Cat760mmHg
• Flash Point: 207.7°C
• PSA: 75.63000
• Density: 1.214g/cm³
• LogP: 3.25710
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 283.12198622
• Heavy Atom Count: 20
• Complexity: 354

Purity/Quality:

99% ^*data from raw suppliers

3-(Boc-amino)-3-(2-fluorophenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=C1F

Technology Process of 3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid

There total 1 articles about 3-(Boc-amino)-3-(2-fluorophenyl)propionic Acid 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: 86.0%

di-tert-butyl dicarbonate (24424-99-5) + ethyl (R)-3-amino-3-(2-fluorophenyl)propanoate → N-Boc-(R)-3-amino-3-(2-fluorophenyl)propanoic acid (284493-56-7,500770-71-8)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

Reference yield:

N-Boc-(R)-3-amino-3-(2-fluorophenyl)propanoic acid (284493-56-7,500770-71-8) + 8-fluoro-6,7-dimethoxy-2-((S)-2-methylpiperazin-1-yl)quinazolin-4-ylamine dihydrochloride + trifluoroacetic acid (76-05-1) → C29H36F2N6O5*C2HF3O2

Guidance literature:

N-Boc-(R)-3-amino-3-(2-fluorophenyl)propanoic acid; 8-fluoro-6,7-dimethoxy-2-((S)-2-methylpiperazin-1-yl)quinazolin-4-ylamine dihydrochloride; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

trifluoroacetic acid; With silica gel; In hexane; ethyl acetate;

upstream raw materials:

di-tert-butyl dicarbonate

Refernces