rac N-Desmethyl Mephenytoin-D5 (Major)

Base Information

• Chemical Name: rac N-Desmethyl Mephenytoin-D5 (Major)
• CAS No.: 119458-27-4
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 209.189
• DSSTox Substance ID: DTXSID60480960
• Mol file: 119458-27-4.mol

Synonyms:rac N-Desmethyl Mephenytoin-D5 (Major);119458-27-4;5-ethyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione;5-Ethyl-5-phenylimidazolidine-2,4-dione-d5;2,4-Imidazolidinedione, 5-ethyl-5-(phenyl-d5)- (9CI);DTXSID60480960;HY-W012481S;AKOS030241337;Rac N-desmethyl mephenytoin-d5(major);CS-0375604;J-004132

Chemical Property of rac N-Desmethyl Mephenytoin-D5 (Major)

Chemical Property:

• Melting Point: 186-189°C
• Refractive Index: 1.539
• PSA: 58.20000
• LogP: 1.78890
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly, Sonicated)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.121261360
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

rac N-Desmethyl Mephenytoin-deuterated ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)N1)C2=CC=CC=C2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)NC(=O)N2)CC)[2H])[2H]
• Uses: An anticonvulsant, hypnotic. A labelled metabolite of Mephentoin. A representative lot was 85% d5; 15% d4 1% d3 with no detectable d0 An anticonvulsant, hypnotic. A labelled metabolite of Mephentoin.A representative lot was 85% d5; 15% d4 1% d3 with no detectable d0.

Technology Process of rac N-Desmethyl Mephenytoin-D5 (Major)

There total 1 articles about rac N-Desmethyl Mephenytoin-D5 (Major) 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:

1-<(2)H5>phenylpropan-1-one (54419-23-7) + potassium cyanide (151-50-8) + ammonium carbonate (506-87-6,6721-33-1,10361-29-2) → [2H5]5-ethyl-5-phenyl-hydantoin (119458-27-4)

Guidance literature:

With ammonium carbonate;

DOI:10.1124/jpet.103.056127

upstream raw materials:

1-<(2)H5>phenylpropan-1-one

potassium cyanide

ammonium carbonate

Refernces