3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic acid
• CAS No.: 180181-93-5
• Molecular Formula: C24H21NO4
• Molecular Weight: 387.435
• Hs Code.: 29225090
• European Community (EC) Number: 864-974-6
• Mol file: 180181-93-5.mol

Synonyms:180181-93-5;3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic acid;Fmoc-3-amino-3-phenylpropionic acid;3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid;3-N-Fmoc-3-phenylpropionic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid;Fmoc-DL-3-amino-3-phenylpropionic acid;Fmoc-D-beta-phenylalanine;MFCD01863192;Fmoc-(R,S)-3-amino-3-phenylpropionic acid;3-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-3-PHENYLPROPANOIC ACID;N-Fmorc-DL-3-phenyl-3-amino-propionic acid;N-Fmoc-(+/-)-3-amino-3-phenylpropanoic acid;FMOC-(R)-|A-phenylalanine;SCHEMBL3199894;AKOS005765932;AB08466;AB08476;SS-4057;AC-12817;PD196882;AM20060429;CS-0149774;FT-0655922;FT-0656850;FT-0679884;3-N-Fmoc-3-phenylpropionic acid, AldrichCPR;EN300-81075;W16883;J-510365;Z1123720006;3-(phenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid;Benzenepropanoic acid,b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-;3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoicacid;Benzenepropanoic acid, |A-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-;Benzenepropanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-

Chemical Property of 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 4.43E-16mmHg at 25°C
• Refractive Index: 1.632
• Boiling Point: 617 °C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 326.9 °C
• PSA: 75.63000
• Density: 1.275 g/cm³
• LogP: 5.13200
• Storage Temp.: Store at 0-5°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 387.14705815
• Heavy Atom Count: 29
• Complexity: 551

Purity/Quality:

97% ^*data from raw suppliers

Fmoc-3-Amino-3-phenylpropionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Technology Process of 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic acid

There total 5 articles about 3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-phenylpropanoic 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: 100.0%

(fluorenylmethoxy)carbonyl chloride (28920-43-6) + 3-Amino-3-phenylpropionic acid (3646-50-2) → (±)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid (180181-93-5)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; water; at 0 - 20 ℃; for 25h;

DOI:10.1021/jm0004953

Reference yield: 95.0%

(±)-(9H-fluoren-9-yl)methyl 5-oxo-3-phenylisoxazolidine-2-carboxylate → (±)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid (180181-93-5)

Guidance literature:

With acetic acid; zinc; In tetrahydrofuran; water; at 40 ℃; for 4h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/ejoc.201700472

Reference yield:

3-Amino-3-phenylpropionic acid (3646-50-2) + N-(9H-fluoren-2-ylmethoxycarbonyloxy)succinimide (82911-69-1) → (±)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid (180181-93-5)

Guidance literature:

With sodium hydrogencarbonate; In water; acetone; at 0 ℃; for 3h;

upstream raw materials:

(fluorenylmethoxy)carbonyl chloride

3-Amino-3-phenylpropionic acid

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

benzaldehyde

Downstream raw materials:

[3-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]carbamic acid 9H-fluoren-9-yl methyl ester

C₁₄H₁₄N₄O₃

C₁₃H₁₄N₄O