Pidobenzone

Base Information

• Chemical Name: Pidobenzone
• CAS No.: 138506-45-3
• Molecular Formula: C11H11 N O4
• Molecular Weight: 221.213
• UNII: X7D2GSX1C1
• DSSTox Substance ID: DTXSID20160695
• Nikkaji Number: J550.716B
• Wikidata: Q27293642
• NCI Thesaurus Code: C76886
• Metabolomics Workbench ID: 155842
• ChEMBL ID: CHEMBL2106955
• Mol file: 138506-45-3.mol

Synonyms:K5 lipogel;pidobenzone

Chemical Property of Pidobenzone

Chemical Property:

• Vapor Pressure: 1.89E-10mmHg at 25°C
• Boiling Point: 495.7°Cat760mmHg
• Flash Point: 253.6°C
• PSA: 75.63000
• Density: 1.358g/cm³
• LogP: 0.90500
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.06880783
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pidobenzone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)NC1C(=O)OC2=CC=C(C=C2)O
• Isomeric SMILES: C1CC(=O)N[C@@H]1C(=O)OC2=CC=C(C=C2)O
• Uses: Pidobenzone is a pharmaceutical compound used in the treatment of Melasma, an acquired blotchy, odd patterned skin discoloration of the face and neck.

Technology Process of Pidobenzone

There total 2 articles about Pidobenzone 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: 78.0%

hydroquinone (123-31-9,8027-02-9) + L-Pyroglutamic acid (98-79-3) → (S)-4-hydroxyphenyl 5-oxopyrrolidine-2-carboxylate (138506-45-3)

Guidance literature:

hydroquinone; L-Pyroglutamic acid; With dmap; In dichloromethane; for 0.166667h;

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 14h;

DOI:10.1016/j.bmc.2018.07.041

Reference yield:

→ (S)-4-hydroxyphenyl 5-oxopyrrolidine-2-carboxylate (138506-45-3)

Guidance literature:

upstream raw materials:

hydroquinone

L-Pyroglutamic acid

Refernces

• 1、 -. "Hydroquinone amino-acid esters, methods of preparation, and pharmaceutical or cosmetic compositions containing them". . . Retrieved 2008/06/13.