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3-Methyl-5-ethyl-5-phenylhydantoin

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Name

3-Methyl-5-ethyl-5-phenylhydantoin

EINECS
CAS No. 50-12-4 Density 1.154g/cm3
Solubility Melting Point 135-138 °C

Formula C12H14 N2 O2 Boiling Point °Cat760mmHg
Molecular Weight 218.28 Flash Point °C
Transport Information Appearance
Safety Poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: somnolence, hemorrhage, changes in teeth and supporting structures. Human mutation data reported. An experimental teratogen. An FDA proprietary drug used as an anticonvulsant. When heated to decomposition it emits toxic fumes of NOx. Risk Codes
Molecular Structure Molecular Structure of 50-12-4 (2,4-Imidazolidinedione,5-ethyl-3-methyl-5-phenyl-) Hazard Symbols
Synonyms

Hydantoin,5-ethyl-3-methyl-5-phenyl- (6CI,7CI,8CI);3-Ethylnirvanol;3-Methyl-5-ethyl-5-phenyl-2,4-imidazolidinedione;3-Methyl-5-ethyl-5-phenylhydantoin;5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione;5-Ethyl-3-methyl-5-phenylhydantoin;5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione;DL-Mephenytoin;Epiazin;Epilan;Fenantoin;Gerot-Epilan;Insulton;Mephenytoin;Mesantoin;Mesdontoin;Mesontoin;Methoin;Methylphenetoin;Metydan;NSC 34652;Phenantoin;Phenylethylmethylhydantoin;Sacerno;Sedantional;Sedantoin;Triantoin;

 

3-Methyl-5-ethyl-5-phenylhydantoin Chemical Properties

Molecule structure of 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) :

IUPAC Name: 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione 
Molecular Weight: 218.25176 g/mol
Molecular Formula: C12H14N2O2
Density: 1.154 g/cm3 
Melting Point 135 deg C  
Storage Temp.: 2-8 °C
Index of Refraction: 1.541
Molar Refractivity: 59.39 cm3
Molar Volume: 188.9 cm3
Polarizability: 23.54810-24 cm3
Surface Tension: 40.1 dyne/cm
pKa Dissociation Constant: 8.51 
log P (octanol-water): 1.69
Water Solubility: 1270 mg/L
Vapor Pressure: 3.80E-08 mm Hg 
Henry's Law Constant: 4.90E-10 atm-m3/mole
Atmospheric OH Rate Constant: 1.07E-11 cm3/molecule-sec
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 218.105528
MonoIsotopic Mass: 218.105528
Topological Polar Surface Area: 49.4
Heavy Atom Count: 16
Complexity: 310
Canonical SMILES: CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2
InChI: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
InChIKey: GMHKMTDVRCWUDX-UHFFFAOYSA-N
EINECS: 200-012-8

3-Methyl-5-ethyl-5-phenylhydantoin Uses

 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is used to be the anti-epileptic disease.

3-Methyl-5-ethyl-5-phenylhydantoin Production

By benzene acetone cyclization, methylation derived. 1. Cyclization to ammonium carbonate, potassium cyanide, ammonia, benzene, acetone and ethanol followed by adding the mixture, heating the reaction, the reactant into the ice water, add diluted hydrochloric acid to pH = 5-6, analysis of the white powder. Filtration, the filtrate plus destruction of cyanide in aqueous solution of ferrous sulfate. Cake by washing to neutral, drying, may 5-ethyl-5-phenyl-hydantoin. 2. Methylation to 5-ethyl-5- phenyl-hydantoin dissolved in sodium hydroxide solution, slowly adding dimethyl sulfate, 2h at 12-15 °C reaction to the reaction solution neutral. Filtration, filter cake successively with 10% sodium hydroxide solution and water washing, drying may mephenytoin crude. Refined get the product.

3-Methyl-5-ethyl-5-phenylhydantoin Toxicity Data With Reference

1.    

cyt-hmn:leu 1 mg/L

    AJOGAH    American Journal of Obstetrics and Gynecology. 116 (1973),867.
2.    

orl-wmn TDLo:1100 mg/kg:CNS,BLD,MSK

    JAMAAP    JAMA, Journal of the American Medical Association. 138 (1949),498.
3.    

orl-rat LD50:850 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.
4.    

ipr-rat LDLo:270 mg/kg

    MEIEDD    Merck Index. 11 (1989),919.
5.    

orl-mus LD50:440 mg/kg

    CKFRAY    Ceskoslovenska Farmacie. 4 (1955),333.
6.    

ipr-mus LD50:317 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 156 (1965),261.
7.    

orl-cat LD50:190 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.
8.    

orl-rbt LD50:430 mg/kg

    27ZIAQ    Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1973,151.
9.    

orl-gpg LD50:380 mg/kg

    27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,263.

3-Methyl-5-ethyl-5-phenylhydantoin Safety Profile

Poison by ingestion and intraperitoneal routes. Human systemic effects by ingestion: somnolence, hemorrhage, changes in teeth and supporting structures. Human mutation data reported. An experimental teratogen. An FDA proprietary drug used as an anticonvulsant. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22: Harmful if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.
WGK Germany: 2

3-Methyl-5-ethyl-5-phenylhydantoin Specification

 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is also called (+-)-5-Ethyl-3-methyl-5-phenylhydantoin ; 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl- ; 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (+-)- ; 3-Ethylnirvanol ; 3-Methyl-5,5-phenylethylhydantoin ; 5-24-08-00093 (Beilstein Handbook Reference) ; 5-Ethyl-3-methyl-5-phenyl-2,4(3H,5H)-imidazoledione ; 5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione ; 5-Ethyl-3-methyl-5-phenylhydantoin ; 5-Ethyl-3-methyl-5-phenylimidazolidin-2,4-dione ; 5-Ethyl-5-fenyl-3-methylhydantoin [Czech] ; Mefenitoina [INN-Spanish] ; Mephenytoine [INN-French] ; Mephenytoinum [INN-Latin] ; Phenylethylmethylhydantoin ; Sedantoinal ; Triantoin . 3-Methyl-5-ethyl-5-phenylhydantoin (CAS NO.50-12-4) is a white crystalline powder with odorless. It is soluble in chloroform, alcohol and ether, insoluble in water.

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