2,4,5-Trichlorophenyl 5-oxo-L-prolinate

Base Information

• Chemical Name: 2,4,5-Trichlorophenyl 5-oxo-L-prolinate
• CAS No.: 5910-47-4
• Molecular Formula: C11H8 Cl3 N O3
• Molecular Weight: 308.548
• European Community (EC) Number: 227-622-7
• DSSTox Substance ID: DTXSID60974551
• Nikkaji Number: J104.203C
• Wikidata: Q82958932
• Mol file: 5910-47-4.mol

Synonyms:2,4,5-Trichlorophenyl 5-oxo-L-prolinate;5910-47-4;EINECS 227-622-7;C11H8Cl3NO3;C11-H8-Cl3-N-O3;L-Proline, 5-oxo-, 2,4,5-trichlorophenyl ester;Proline, 5-oxo-, 2,4,5-trichlorophenyl ester, L-;L-pyroglutamic acid 2,4,5-trichlorophenyl ester;SCHEMBL10940622;DTXSID60974551;5-Oxo-L-proline 2,4,5-trichlorophenyl ester;2,4,5-Trichlorophenyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate

Chemical Property of 2,4,5-Trichlorophenyl 5-oxo-L-prolinate

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Boiling Point: 505.7°Cat760mmHg
• Flash Point: 259.6°C
• PSA: 55.40000
• Density: 1.54g/cm³
• LogP: 3.15960
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 306.956976
• Heavy Atom Count: 18
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC1C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl
• Isomeric SMILES: C1CC(=O)N[C@@H]1C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of 2,4,5-Trichlorophenyl 5-oxo-L-prolinate

There total 2 articles about 2,4,5-Trichlorophenyl 5-oxo-L-prolinate 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: 90.0%

2,4,5-trichlorophenol (95-95-4) + L-Pyroglutamic acid (98-79-3) → L-pyroglutamic acid 2,4,5-trichlorophenyl ester (5910-47-4)

Guidance literature:

With dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/S0968-0896(01)00265-6

Reference yield:

→ 2,4,5-trichlorophenyl 5-oxo-L-prolinate (5910-47-4)

Guidance literature:

Pyroglutaminsaeure, 2,4,5-Trichlorphenol;

Reference yield: 60.0%

H-Gln-Phe-Tyr-Gly-Leu-Met-NH2 (70120-92-2) + L-pyroglutamic acid 2,4,5-trichlorophenyl ester (5910-47-4) → p-Glu-Gln-Phe-Tyr-Gly-Leu-Met-NH2 (70120-89-7)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 3 - 20 ℃; for 120h;

upstream raw materials:

2,4,5-trichlorophenol

L-Pyroglutamic acid

Downstream raw materials:

p-Glu-Gln-Phe-Tyr-Gly-Leu-Met-NH₂

L-Pyroglutamyl-L-histidine Methyl Ester

L-pyroglutamyl-L-histydyl-L-proline thioamide

L-pGlu-L-His[1-benzyl-2-(adamantan-1-yl)]-L-ProNH₂

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