CAS No.346440-54-8,(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	346440-54-8
Name:	(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone
Article Data:	11

Formula:	C₁₅H₂₂N₂O
Molecular Weight:	246.352
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
Density:	1.040±0.06 g/cm3(Predicted)
Melting Point:	93-100 °C(lit.)
Boiling Point:	378.0±35.0 °C(Predicted)
Flash Point:	182.4oC
Safety:	22-24/25
PSA:	32.34000
LogP:	2.29820

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

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%

...Expand

: 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

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

Conditions	Yield
With iron(III) chloride In tetrahydrofuran at 20℃; for 14h;	22%

: (S)-N-(2',2'-Dimethylpropyliden)phenylalanin-(N-methylamid)

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

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

m-Me-C6H4-CH2-Hal: m-Me-C6H4-CH2-Hal

: 346440-54-8
(2S,5S)-5-benzyl-2-(tert-butyl)-3-methylimidazolidin-4-one

Conditions

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

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

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

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

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

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

Total:29 Page 1 of 1 1

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Chemistry

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

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.