1-Benzyl hydantoin supplier

Name
1-Benzyl hydantoin
EINECS 421-340-1
CAS No. 6777-05-5
Article Data8
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point 275°C (dec.)(lit.)
Formula C₁₀H₁₀N₂O₂
Boiling Point
Molecular Weight 190.202
Flash Point
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Hydantoin,1-benzyl- (7CI,8CI);1-Benzylhydantoin;1-Benzylimidazolidine-2,4-dione;
PSA 49.41000
LogP 1.00510

Synthetic route

: 1034186-48-5
methyl N-cyano-N-benzylaminoacetate

: 6777-05-5
1-benzylhydantoin

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
Heating;	67%

: 591-50-4
iodobenzene

: 6777-05-5
1-benzylhydantoin

: 83800-58-2
1-benzyl-3-phenylimidazolidine-2,4-dione

Conditions

Conditions	Yield
With copper(I) oxide In N,N-dimethyl-formamide at 150℃; for 14h; Inert atmosphere; regioselective reaction;	56%

: 123-11-5
4-methoxy-benzaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-1-benzyl-5-(4-methoxybenzylidene)imidazolidine-2,4-dione

B: 1099596-29-8
(E)-1-benzyl-5-(4-methoxybenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With piperidine In ethanol for 22h; Knoevenagel condensation; Reflux;	A n/a B 41%

...Expand

: 100-10-7
4-dimethylamino-benzaldehyde

: 6777-05-5
1-benzylhydantoin

: 1099596-32-3
(E)-1-benzyl-5-(4-dimethylaminobenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With piperidine In ethanol for 6h; Knoevenagel condensation; Reflux;	31%

: 2525-62-4
Hexyl isocyanate

: 6777-05-5
1-benzylhydantoin

: 1071511-63-1
3-benzyl-2,5-dioxoimidazolidine-1-hexylcarboxamide

Conditions

Conditions	Yield
With dmap In pyridine; toluene at 115℃; for 12h;	7%

: 1122-91-4
4-bromo-benzaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-1-benzyl-5-(4-bromobenzylidene)imidazolidine-2,4-dione

B: 1099596-31-2
(E)-1-benzyl-5-(4-bromobenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With piperidine In ethanol for 36h; Knoevenagel condensation; Reflux;	A n/a B 3%

...Expand

: 133040-03-6
2-n-butyl-1-[(4-carbomethoxyphenyl)methyl]-1H-imidazol-5-carboxaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-4-[[2-Butyl-5-[(2,5-dioxo-3-(phenylmethyl)-4-imidazolidinylidene)methyl]-1H-imidazole-1-yl]methyl]benzoic acid

B: (E)-4-[[2-Butyl-5-[(2,5-dioxo-3-(phenylmethyl)-4-imidazolidinylidene)methyl]-1H-imidazole-1-yl]methyl]benzoic acid

Conditions

Conditions	Yield
With tetramethyl ammoniumhydroxide In methanol; water Heating;

...Expand

: 104-88-1
4-chlorobenzaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-1-benzyl-5-(4-chlorobenzylidene)imidazolidine-2,4-dione

B: 1162658-56-1
(E)-1-benzyl-5-(4-chlorobenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With piperidine In ethanol for 20h; Knoevenagel condensation; Reflux; optical yield given as %de;

...Expand

: 10031-82-0
4-ethoxybenzaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-1-benzyl-5-(4-ethoxybenzylidene)imidazolidine-2,4-dione

B: 1099596-30-1
(E)-1-benzyl-5-(4-ethoxybenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With piperidine In ethanol for 24h; Knoevenagel condensation; Reflux; optical yield given as %de;

...Expand

: 135-02-4
ortho-anisaldehyde

: 6777-05-5
1-benzylhydantoin

A: (Z)-1-benzyl-5-(2-methoxybenzylidene)imidazolidine-2,4-dione

B: 1099596-33-4
(E)-1-benzyl-5-(2-methoxybenzylidene)imidazolidine-2,4-dione

Conditions

Conditions	Yield
Stage #1: ortho-anisaldehyde; 1-benzylhydantoin With piperidine In ethanol for 48h; Knoevenagel condensation; Reflux; Stage #2: In water optical yield given as %de;

...Expand

: 100-52-7
benzaldehyde

: 6777-05-5
1-benzylhydantoin

A: 1187307-78-3
(Z)-5-benzylidene-1-benzylhydantoin

B: 1187307-77-2
(E)-5-benzylidene-1-benzylhydantoin

Conditions

Conditions	Yield
With piperidine at 130℃; for 0.0833333h; Knoevenagel condensation; Inert atmosphere; Microwave irradiation; optical yield given as %de;

...Expand

: 123-08-0
4-hydroxy-benzaldehyde

: 6777-05-5
1-benzylhydantoin

A: 1187307-80-7
(Z)-5-(4-hydroxybenzylidene)-1-benzylhydantoin

B: 1187307-79-4
(E)-5-(4-hydroxybenzylidene)-1-benzylhydantoin

Conditions

Conditions	Yield
With piperidine at 130℃; for 0.0833333h; Knoevenagel condensation; Inert atmosphere; Microwave irradiation;

...Expand

: 6777-05-5
1-benzylhydantoin

: 1,3-dibenzyl-1,3-dihydro-2H-imidazol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / acetone / Reflux; Inert atmosphere 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 24 h / 25 - 65 °C / Inert atmosphere View Scheme

: 6777-05-5
1-benzylhydantoin

: 3-benzyl-1-methyl-1,3-dihydro-2H-imidazol-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / acetone / Reflux; Inert atmosphere 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 24 h / 25 - 65 °C / Inert atmosphere View Scheme

: 71381-91-4, 114978-05-1, 115588-20-0, 34715-60-1
(+/-)-2-(4-isobutylphenyl)propanoyl chloride

: 6777-05-5
1-benzylhydantoin

: 1357113-63-3
1-benzyl-3-(2-(4-isobutylphenyl)propanoyl)imidazolidine-2,4-dione

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;

: 6777-05-5
1-benzylhydantoin

: (E)-methyl 2-(3-benzyl-4-(4-hydroxybenzylidene)-2,5-dioxoimidazolidin-1-yl)acetate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C 2: acetic acid; piperidine / toluene / 4.5 h / Reflux View Scheme

: 6777-05-5
1-benzylhydantoin

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 4 h / 85 °C 2: acetic acid; piperidine / toluene / 4.5 h / Reflux View Scheme

: 6777-05-5
1-benzylhydantoin

: (E)-methyl 4-((4-((3-benzyl-1-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)methyl)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C 2: acetic acid; piperidine / toluene / 4.5 h / Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C View Scheme

: 6777-05-5
1-benzylhydantoin

: (E)-methyl 2-(4-((3-benzyl-1-(2-methoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-ylidene)methyl)phenoxy)acetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C 2: acetic acid; piperidine / toluene / 4.5 h / Reflux 3: potassium carbonate / N,N-dimethyl-formamide / 3 h / 85 °C View Scheme

1-Benzyl hydantoin Chemical Properties

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

1-Benzyl hydantoin 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) .

Product Name

1-Benzyl hydantoin

Synthetic route

1-Benzyl hydantoin Chemical Properties

1-Benzyl hydantoin Specification

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