Hydantoin, 5-methyl-5-veratryl-

Base Information

• Chemical Name: Hydantoin, 5-methyl-5-veratryl-
• CAS No.: 892-02-4
• Molecular Formula: C₁₃H₁₆N₂O₄
• Molecular Weight: 264.281
• DSSTox Substance ID: DTXSID001008699
• Nikkaji Number: J342.384K
• ChEMBL ID: CHEMBL347992
• Mol file: 892-02-4.mol

Synonyms:892-02-4;Hydantoin, 5-methyl-5-veratryl-;5-Methyl-5-veratrylhydantoin;5-(3,4-dimethoxybenzyl)-5-methylimidazolidine-2,4-dione;5-[(3,4-Dimethoxyphenyl)methyl]-5-methyl-2,4-imidazolidinedione;5-[(3,4-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione;2,4-Imidazolidinedione,5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-;5-((3,4-Dimethoxyphenyl)methyl)-5-methyl-2,4-imidazolidinedione;BRN 0236647;2,4-Imidazolidinedione, 5-((3,4-dimethoxyphenyl)methyl)-5-methyl-;5-(3,4-Dimethoxybenzyl)-5-methylhydantoin;5-25-03-00319 (Beilstein Handbook Reference);CHEMBL347992;SCHEMBL2893907;DTXSID001008699;HMS1722K19;AKOS008967043;WAY-621737;CS-0279205;FT-0667377;SR-01000051284;SR-01000051284-1;Z56974775;4-[(3,4-Dimethoxyphenyl)methyl]-4-methyl-4H-imidazole-2,5-diol

Chemical Property of Hydantoin, 5-methyl-5-veratryl-

Chemical Property:

• PSA: 83.64000
• Density: 1.209g/cm³
• LogP: 0.76030
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.11100700
• Heavy Atom Count: 19
• Complexity: 374

Purity/Quality:

97% ^*data from raw suppliers

5-[(3,4-Dimethoxyphenyl)methyl]-5-methyl-2,4-imidazolidinedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)NC(=O)N1)CC2=CC(=C(C=C2)OC)OC
• Uses: Benzylhydantoins with anticovulsant potential.

Technology Process of Hydantoin, 5-methyl-5-veratryl-

There total 4 articles about Hydantoin, 5-methyl-5-veratryl- 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:

3,4-dimethoxyphenylacetonitrile (93-17-4) → 5-(3,4-dimethoxy-benzyl)-5-methyl-imidazolidine-2,4-dione (892-02-4,4759-98-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium ethylate

2: aqueous H₂SO₄

3: 4>2CO₃

With sulfuric acid; sodium ethanolate; ammonium carbonate;

DOI:10.1021/ja01608a046

Reference yield:

α-(3,4-dimethoxyphenyl)acetoacetonitrile (18133-46-5,63895-79-4) → 5-(3,4-dimethoxy-benzyl)-5-methyl-imidazolidine-2,4-dione (892-02-4,4759-98-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₂SO₄

2: 4>2CO₃

With sulfuric acid; ammonium carbonate;

DOI:10.1021/ja01608a046

Reference yield:

3,4-dimethoxyphenylacetone (776-99-8) + potassium cyanide (151-50-8) → 5-(3,4-dimethoxy-benzyl)-5-methyl-imidazolidine-2,4-dione (892-02-4,4759-98-2)

Guidance literature:

With ammonium carbonate;

DOI:10.1021/ja01608a046

upstream raw materials:

3,4-dimethoxyphenylacetone

potassium cyanide

3,4-dimethoxyphenylacetonitrile

α-(3,4-dimethoxyphenyl)acetoacetonitrile