N-t-Butyloxycarbonyl-glutamic acid alpha phenyl ester

Base Information

• Chemical Name: N-t-Butyloxycarbonyl-glutamic acid alpha phenyl ester
• CAS No.: 59587-94-9
• Molecular Formula: C16H21 N O6
• Molecular Weight: 323.34
• DSSTox Substance ID: DTXSID90208250
• Wikidata: Q83082358
• Mol file: 59587-94-9.mol

Synonyms:BOC-GluOPh;N-t-BOC-L-glutamic acid alpha-phenyl ester;N-t-butyloxycarbonyl-glutamic acid alpha phenyl ester

Chemical Property of N-t-Butyloxycarbonyl-glutamic acid alpha phenyl ester

Chemical Property:

• Vapor Pressure: 9.93E-12mmHg at 25°C
• Boiling Point: 522.1°C at 760 mmHg
• PKA: 4.43±0.10(Predicted)
• Flash Point: 269.6°C
• PSA: 101.93000
• Density: 1.213g/cm³
• LogP: 2.74100
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 323.13688739
• Heavy Atom Count: 23
• Complexity: 423

Purity/Quality:

98.5% ^*data from raw suppliers

Boc-Glu-OPh ≥98.0% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)OC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)C(=O)OC1=CC=CC=C1

Technology Process of N-t-Butyloxycarbonyl-glutamic acid alpha phenyl ester

There total 3 articles about N-t-Butyloxycarbonyl-glutamic acid alpha phenyl ester 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: 99.0%

BOC-Glu(OBn)-OPh (59587-93-8) → N-tertbutyloxycarbonyl L-glutamic acid α-phenyl ester (59587-94-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 2h;

DOI:10.1016/0957-4166(95)00155-I

Reference yield:

Boc-Glu(OBzl)-OH (13574-13-5) → N-tertbutyloxycarbonyl L-glutamic acid α-phenyl ester (59587-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / DCC, pyridine / ethyl acetate / Ambient temperature

2: 99 percent / H₂ / 10percent Pd/C / methanol / 2 h

With pyridine; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; ethyl acetate;

DOI:10.1016/0957-4166(95)00155-I

Reference yield:

phenol (108-95-2,27073-41-2) → N-tertbutyloxycarbonyl L-glutamic acid α-phenyl ester (59587-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / DCC, pyridine / ethyl acetate / Ambient temperature

2: 99 percent / H₂ / 10percent Pd/C / methanol / 2 h

With pyridine; hydrogen; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; ethyl acetate;

DOI:10.1016/0957-4166(95)00155-I

upstream raw materials:

BOC-Glu(OBn)-OPh

Boc-Glu(OBzl)-OH

phenol

Refernces