5-(m-Hydroxyphenyl)-5-phenylhydantoin

Base Information

• Chemical Name: 5-(m-Hydroxyphenyl)-5-phenylhydantoin
• CAS No.: 30074-03-4
• Molecular Formula: C15H12 N2 O3
• Molecular Weight: 268.272
• Hs Code.: 2933990090
• European Community (EC) Number: 250-025-8
• DSSTox Substance ID: DTXSID30952482
• Nikkaji Number: J249.911H
• ChEMBL ID: CHEMBL1908020
• Mol file: 30074-03-4.mol

Synonyms:5-(3-hydroxyphenyl)-5-phenylhydantoin;5-(3-hydroxyphenyl)-5-phenylhydantoin, (+-)-isomer;5-(3-hydroxyphenyl)-5-phenylhydantoin, (R)-isomer;5-(3-hydroxyphenyl)-5-phenylhydantoin, (S)-isomer;5-HPPH

Chemical Property of 5-(m-Hydroxyphenyl)-5-phenylhydantoin

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 78.43000
• Density: 1.348g/cm³
• LogP: 2.13280
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 268.08479225
• Heavy Atom Count: 20
• Complexity: 406

Purity/Quality:

98%Min ^*data from raw suppliers

3-Hydroxy phenytoin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC(=CC=C3)O
• Uses: A major metabolite of Phenytoin, an anticonvulsant.

Technology Process of 5-(m-Hydroxyphenyl)-5-phenylhydantoin

There total 4 articles about 5-(m-Hydroxyphenyl)-5-phenylhydantoin 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:

phenythoin (57-41-0) → 3'-Hydroxyphenytoin (30074-03-4) + 1,3-dichloro-5,5-diphenylhydantoin (100965-46-6) + 5-(4-hydroxyphenyl)-5-phenylhydantoin (2784-27-2,57464-82-1) + 2'-Hydroxyphenytoin (60919-11-1)

Guidance literature:

With dihydrogen peroxide; iron(II); adenosine 5'-diphosphate; at 37 ℃; Further Variations:; Reagents; Product distribution;

DOI:10.1016/0006-2952(95)00151-O

Reference yield:

3-hydroxybenzophenone (13020-57-0) + potassium cyanide (151-50-8) → 3'-Hydroxyphenytoin (30074-03-4)

Guidance literature:

With acetamide; water;

DOI:10.1021/ja01200a058

Reference yield:

acetamide (60-35-5) + 3-hydroxybenzophenone (13020-57-0) + potassium cyanide (151-50-8) → 3'-Hydroxyphenytoin (30074-03-4)

Guidance literature:

at 140 ℃;

DOI:10.1021/ja01200a058

upstream raw materials:

3-hydroxybenzophenone

potassium cyanide

acetamide

phenythoin