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Basic Information
CAS No.: 6777-05-5
Name: 1-Benzyl hydantoin
Molecular Structure:
Molecular Structure of 6777-05-5 (1-Benzyl hydantoin)
Formula: C10H10N2O2
Molecular Weight: 190.202
Synonyms: Hydantoin,1-benzyl- (7CI,8CI);1-Benzylhydantoin;1-Benzylimidazolidine-2,4-dione;
EINECS: 421-340-1
Density: 1.292 g/cm3
Melting Point: 275°C (dec.)(lit.)
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 49.41000
LogP: 1.00510
Synthetic route
1034186-48-5

methyl N-cyano-N-benzylaminoacetate

6777-05-5

1-benzylhydantoin

Conditions
ConditionsYield
With dibutyl phosphate at 100℃; for 1h; Neat (no solvent);89%
With sulfuric acid In diethyl ether; water at 0 - 20℃; for 2.5h;82%
1187307-91-0

1-carbethoxymethyl-1-benzylurea

6777-05-5

1-benzylhydantoin

Conditions
ConditionsYield
With hydrogenchloride In water for 4h; Reflux;52%
With hydrogenchloride In water for 4h; Reflux;
590-28-3

potassium cyanate

6436-90-4

ethyl 2-(benzylamino)acetate

6777-05-5

1-benzylhydantoin

Conditions
ConditionsYield
With hydrogenchloride Multistep reaction;
1034186-56-5

methyl 1-benzylhydantoate

6777-05-5

1-benzylhydantoin

6436-90-4

ethyl 2-(benzylamino)acetate

6777-05-5

1-benzylhydantoin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride / water / 20 h / 20 °C
2: hydrogenchloride / water / 4 h / Reflux
View Scheme
2417-72-3

Methyl 4-(bromomethyl)benzoate

6777-05-5

1-benzylhydantoin

methyl 4-((3-benzyl-2,5-dioxoimidazolidin-1-yl)methyl)benzoate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 4h;80.25%
96-32-2

bromoacetic acid methyl ester

6777-05-5

1-benzylhydantoin

methyl 2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)acetate

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 85℃; for 3h;77.41%
6777-05-5

1-benzylhydantoin

benzyl iodide/bromide

benzyl iodide/bromide

16935-43-6

1,3-dibenzylimidazolidine-2,4-dione

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux; Inert atmosphere;75%
6777-05-5

1-benzylhydantoin

methyl iodide/bromide

methyl iodide/bromide

16935-44-7

1-benzyl-3-methylimidazolidine-2,4-dione

Conditions
ConditionsYield
With potassium carbonate In acetone Reflux; Inert atmosphere;72%
10024-89-2

morpholin hydrochloride

6777-05-5

1-benzylhydantoin

1-benzyl-4-morpholinoimidazolin-2-one

Conditions
ConditionsYield
Heating;67%
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Chemistry

Molecular Structure of 1-Benzyl hydantoin (CAS NO.6777-05-5):

Empirical Formula: C10H10N2O2
Molecular Weight: 190.1986
ACD/LogP: 0.42
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.42
ACD/LogD (pH 7.4): 0.41
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.597
Molar Refractivity: 50.17 cm3
Molar Volume: 147.1 cm3
Surface Tension: 54.2 dyne/cm
Density: 1.292 g/cm3
Product Categories: Imidaxoles

Specification

  1-Benzyl hydantoin , with CAS number of 6777-05-5, can be called N-benzylhydantoin ; n-benzyl-2,4-imidazolinedione ; benzylhydantoin ; 1-benzyl-imidazolidine-2,4-dione ; 1-benzylhydantoin ; 1-benzyl hydantion ; n-benzylhydantion ; 1-Benzylhydantoine ; 1-Benzyl hydantoin(BHD) .