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Cas Database |
| Name |
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone |
EINECS | N/A |
| CAS No. | 346440-54-8 | Density | 1.040±0.06 g/cm3(Predicted) |
| PSA | 32.34000 | LogP | 2.29820 |
| Solubility | N/A | Melting Point |
93-100 °C(lit.) |
| Formula | C15H22N2O | Boiling Point | 378.0±35.0 °C(Predicted) |
| Molecular Weight | 246.352 | Flash Point | 182.4oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(2S,5S)-5-BENZYL-2-TERT-BUTYL-3-METHYL-4-IMIDAZOLIDINONE;(2S,5S)-2-T-BUTYL-3-METHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONE;(2S,5S)-(-)-2-TERT-BUTYL-3-METHYL-5-BENZYL-4-IMIDAZOLIDINONE;(2S,5S)-2-TERT-BUTYL-3-METHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONE;MACMILLAN ORGANOCATALYST(TM) SS246;(2S,5S)-2-TERT-BUTYL-3-METHYL-5-BENZYL-&;(2S 5S)-2-(1 1-DIMETHYLETHYL)-3-METHY&;(2S,5S)-5-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone, (2S,5S)-2-tert-Butyl-3-methyl-5-phenylmethyl-4-imidazolidinone |
Article Data | 11 |
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone Synthetic route
- 35373-92-3
L-phenylalanine methylamide
- 630-19-3
pivalaldehyde
A
- 691847-46-8
(2R,5S)-5-benzyl-2-tert-butyl-3-methylimidazolin-4-one hydrochloride
B
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| With ytterbium(III) triflate In chloroform for 8h; Inert atmosphere; Reflux; | A 58% B 11% |
| With ytterbium(III) triflate In chloroform at 20℃; for 8h; | A 58% B 11% |
| With ytterbium(III) triflate In chloroform for 8h; Reflux; | A 46% B 22% |
- 35373-92-3
L-phenylalanine methylamide
- 630-19-3
pivalaldehyde
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| With iron(III) chloride In tetrahydrofuran for 24h; Molecular sieve; Inert atmosphere; Reflux; | 25% |
| With iron(III) chloride |
- 691847-46-8
(2R,5S)-5-benzyl-2-tert-butyl-3-methylimidazolin-4-one hydrochloride
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| With iron(III) chloride In tetrahydrofuran at 20℃; for 14h; | 22% |
A
- 691847-46-8
(2R,5S)-5-benzyl-2-tert-butyl-3-methylimidazolin-4-one hydrochloride
B
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol 1.) 0 deg C, 30 min; 2.) room temp., 2 h; Yield given. Title compound not separated from byproducts; |
- 2577-90-4
methyl (2S)-2-amino-3-phenylpropanoate
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 82 percent / ethanol / 20 °C 2: FeCl3; 4 Angstroem molecular sieves / tetrahydrofuran / 36 h / 20 °C 3: 22 percent / FeCl3 / tetrahydrofuran / 14 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 82 percent / ethanol / 20 °C 2: 23 percent / FeCl3; 4 Angstroem molecular sieves / tetrahydrofuran / 36 h / 20 °C View Scheme |
- 35373-92-3
L-phenylalanine methylamide
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: FeCl3; 4 Angstroem molecular sieves / tetrahydrofuran / 36 h / 20 °C 2: 22 percent / FeCl3 / tetrahydrofuran / 14 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 78 percent / pentane / Heating 2: HCl / methanol / 1.) 0 deg C, 30 min; 2.) room temp., 2 h View Scheme |
- 7524-50-7
methyl (2S)-2-amino-3-phenylpropanoate hydrochloride
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: ethanol / 35 h 2: 78 percent / pentane / Heating 3: HCl / methanol / 1.) 0 deg C, 30 min; 2.) room temp., 2 h View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol / 48 h / 20 °C / Inert atmosphere 2: iron(III) chloride / tetrahydrofuran / 24 h / Molecular sieve; Inert atmosphere; Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: ethanol / 48 h / 20 °C 2: ytterbium(III) triflate / chloroform / 8 h / 20 °C View Scheme |
- 3182-93-2
(L)-phenylalanine ethyl ester hydrochloride
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: ethanol / 35 h 2: 78 percent / pentane / Heating 3: HCl / methanol / 1.) 0 deg C, 30 min; 2.) room temp., 2 h View Scheme | |
| Multi-step reaction with 2 steps 1: methylamine / ethanol / 95 h 2: ytterbium(III) triflate / chloroform / 8 h / Reflux View Scheme |
- 630-19-3
pivalaldehyde
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 78 percent / pentane / Heating 2: HCl / methanol / 1.) 0 deg C, 30 min; 2.) room temp., 2 h View Scheme |
- 63-91-2
L-phenylalanine
A
- 691847-46-8
(2R,5S)-5-benzyl-2-tert-butyl-3-methylimidazolin-4-one hydrochloride
B
- 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: thionyl chloride / 22 h / 0 °C / Reflux 2: ethanol / 23 h / 20 °C 3: ytterbium(III) triflate / chloroform / 8 h / Inert atmosphere; Reflux View Scheme |
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone Chemical Properties
Molecular Structure:
Molecular Formula: C15H22N2O
Molecular Weight: 246.35
Product Name: (2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone
Synonyms of (2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone (CAS NO.346440-54-8): Macmillan organocatalyst(tm) ss246 ; (2s,5s)-2-Tert-butyl-3-methyl-5-benzyl-& ; (2s 5s)-2-(1' 1'-Dimethylethyl)-3-methy& ; (2S,5S)-5-Benzyl-2-tert-butyl-3-methyl-4-imidazolidinone, (2S,5S)-2-tert-Butyl-3-methyl-5-phenylmethyl-4-imidazolidinone
CAS NO: 346440-54-8
Melting point: 93-100 °C
Index of Refraction: 1.528
Molar Refractivity: 72.94 cm3
Molar Volume: 236.8 cm3
Surface Tension: 37.6 dyne/cm
Density: 1.04 g/cm3
Flash Point: 182.4 °C
Enthalpy of Vaporization: 62.59 kJ/mol
Boiling Point: 378 °C at 760 mmHg
Vapour Pressure of (2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone (CAS NO.346440-54-8): 6.47E-06 mmHg at 25°C
(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone Safety Profile
Safety Statements of (2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone (CAS NO.346440-54-8): 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
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