2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid

Base Information

• Chemical Name: 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid
• CAS No.: 183070-47-5
• Molecular Formula: C₂₉H₂₉NO₆
• Molecular Weight: 487.552
• DSSTox Substance ID: DTXSID901130849
• Mol file: 183070-47-5.mol

Synonyms:Fmoc-Phe(4-COOtBu)-OH;183070-47-5;2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid;MFCD01317016;SCHEMBL1062784;GQIVAZYTLZQGHT-UHFFFAOYSA-N;DTXSID901130849;SY279592;3-(4-tert-butoxycarbonylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;4-[(1,1-Dimethylethoxy)carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]phenylalanine;4-[2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-ethyl]-benzoic acid tert-butyl ester

Chemical Property of 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 487.19948764
• Heavy Atom Count: 36
• Complexity: 761

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic acid

There total 5 articles about 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-(tert-butoxycarbonyl)phenyl)propanoic 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:

tert-butyl 4-methylbenzoate (13756-42-8) → 4-[2-Carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-ethyl]-benzoic acid tert-butyl ester (183070-47-5)

Guidance literature:

Multi-step reaction with 5 steps

1: NBS

2: t-BuOK

3: H⁺

4: saponification

With N-Bromosuccinimide; potassium tert-butylate; hydrogen cation;

DOI:10.1016/S0040-4039(96)01490-6

Reference yield:

4-methyl-benzoyl chloride (874-60-2) → 4-[2-Carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-ethyl]-benzoic acid tert-butyl ester (183070-47-5)

Guidance literature:

Multi-step reaction with 6 steps

2: NBS

3: t-BuOK

4: H⁺

5: saponification

With N-Bromosuccinimide; potassium tert-butylate; hydrogen cation;

DOI:10.1016/S0040-4039(96)01490-6

Reference yield:

4-[2-(Benzhydrylidene-amino)-2-methoxycarbonyl-ethyl]-benzoic acid tert-butyl ester → 4-[2-Carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-ethyl]-benzoic acid tert-butyl ester (183070-47-5)

Guidance literature:

Multi-step reaction with 3 steps

1: H⁺

2: saponification

With hydrogen cation;

DOI:10.1016/S0040-4039(96)01490-6

upstream raw materials:

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

tert-butyl 4-methylbenzoate

4-methyl-benzoyl chloride