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tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
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Name

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate

 EINECS N/A
CAS No. 83056-79-5 Density 1.115 g/cm3
PSA 58.64000 LogP 0.61840
Solubility N/A Melting Point N/A
Formula C9H16 N2 O3 Boiling Point 347.4 °C at 760 mmHg
Molecular Weight 200.238 Flash Point 163.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83056-79-5 (TERT-BUTYL(4S)-1-METHYL-2-OXOIMIDAZOLIDINE-4-CARBOXYLATE) Hazard Symbols N/A
Synonyms

4-Imidazolidinecarboxylicacid, 1-methyl-2-oxo-, 1,1-dimethylethyl ester, (S)-;

Article Data 4

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate Synthetic route

83056-78-4

tert-butyl (4S)-3-(benzyloxycarbonyl)-1-methyl-2-oxoimidazolidine-4-carboxylate

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

Conditions
ConditionsYield
With hydrogen; palladium In methanol under 760 Torr; for 3h; Ambient temperature;98.2%
In methanol; hydrogen98.2%
palladium In methanol; hydrogen98.2%
157163-04-7

tert-Butyl (4S)-3-<(2R)-2-(N-benzylamino)propionyl>-1-methyl-2-oxoimidazolidine-4-carboxylate

100-51-6

benzyl alcohol

A

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

B

Benzyl N-benzyl-D-alaninate

Conditions
ConditionsYield
With n-butyllithium In diethyl ether; benzene 1.) 0 deg C, 10 min, 2.) 0 deg C, 30 min;A 76%
B 87%
With n-butyllithium In diethyl ether; hexane 1.) 0 deg C, 10 min, 2.) 0 deg C, 30 min;A 76%
B 87%
77999-24-7

(S)‐2‐oxoimidazolidine‐1,5‐dicarboxylate-5‐tert‐butyl ester-1‐benzyl ester

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 89.8 percent / K2CO3 / acetone / 72 h / Ambient temperature
2: 98.2 percent / H2 / Pd / methanol / 3 h / 760 Torr / Ambient temperature
View Scheme
83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

2-Bromo-4-phenyl-butyryl bromide

195828-78-5

(S)-3-(2-Bromo-4-phenyl-butyryl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran 1.) -50 deg C, 20 min, 2.) -30 deg C, 30 min;84%
22118-12-3

2-bromobutanoyl chloride

865-47-4

potassium tert-butylate

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

195828-76-3

tert.-butyl (4S)-1-methyl-3-(2-bromo-n-butyryl)-2-oxo-imidazolidine-4-carboxylate

Conditions
ConditionsYield
In tetrahydrofuran80.3%
74204-03-8

2-bromo-4-methylvaleryl bromide

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

195828-77-4

(S)-3-(2-Bromo-4-methyl-pentanoyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran 1.) -50 deg C, 20 min, 2.) -30 deg C, 30 min;78%
136622-16-7

(R)-2-(methanesulfonyloxy)propionic acid

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

130368-72-8

tert-Butyl (4S)-1-Methyl-3-<(2R)-2-(4-methanesulfonyloxy)propionyl>-2-oxoimidazolidine-4-carboxylate

Conditions
ConditionsYield
75.8%
88081-65-6

(2R)-2-(4-toluenesulfonyloxy)propionyl chloride

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

130368-70-6

tert-Butyl (4S)-1-Methyl-3-<(2R)-2-(4-toluenesulfonyloxy)propionyl>-2-oxoimidazolidine-4-carboxylate

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at -50℃; for 0.333333h;74%
With potassium tert-butylate In tetrahydrofuran a) -50 deg C, 20 min, b) -30 deg C, 20 min; Yield given;

toluene-ethyl acetate

865-47-4

potassium tert-butylate

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

72679-02-8

(2S)-3-(benzoylthio)-2-methylpropionic acid

72679-01-7

(2S)-3-benzoylthio-2-methylpropionyl chloride

tert.-butyl (4S)-1-methyl-3-[(2S)-3-benzoylthio-2-methylpropionyl]-2-oxo-imidazolidine-4-carboxylate

Conditions
ConditionsYield
With thionyl chloride In tetrahydrofuran; ethyl acetate73.9%
...Expand
865-47-4

potassium tert-butylate

83056-79-5

(4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid t-butyl ester

7148-74-5

2-Bromopropionyl chloride

195828-75-2

tert.-butyl (4S)-1-methyl-3-(2-bromopropionyl)-2-oxo-imidazolidine-4-carboxylate

Conditions
ConditionsYield
In tetrahydrofuran72.7%

tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate Specification

The tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate , with the CAS register number 83056-79-5 , has the systematic name of 4-imidazolidinecarboxylic acid,1-methyl-2-oxo-,1,1-dimethylethyl ester, (4S)- and it could als be known to us as (s)-(-)-1-methyl-2-oxoimidazolidine-4-carboxylic acid tert-butyl ester ; (4s)-1-methyl-2-oxo-4-imidazolidinecarboxylic acid, tert-butyl ester , etc.

The characteristics of this kind of chemical are as followings: (1)#H bond acceptors:  5  ; (2)#H bond donors:  1  ; (3)#Freely Rotating Bonds:  3  ; (4)Polar Surface Area:  58.64   ; (5)Index of Refraction:  1.473  ; (6)Molar Refractivity:  50.4 cm3  ; (7)Molar Volume:  179.4 cm3  ; (8)Polarizability:  19.98 ×10-24cm3  ; (9)Surface Tension:  36.2 dyne/cm  ; (10)Density:  1.115 g/cm3  ; (11)Flash Point:  163.9 °C  ; (12)Enthalpy of Vaporization:  59.17 kJ/mol  ; (13)Boiling Point:  347.4 °C at 760 mmHg  ; (14)Vapour Pressure:  5.38E-05 mmHg at 25°C  .

This kind of chemical is usually used in the pharmaceutics intermediate.

And you could convert the following data information into the molecular strcture:
SMILES: CC(C)(C)OC(=O)[C@@H]1CN(C(=O)N1)C
InChI: InChI=1/C9H16N2O3/c1-9(2,3)14-7(12)6-5-11(4)8(13)10-6/h6H,5H2,1-4H3,(H,10,13)/t6-/m0/s1
InChIKey: JHSLVEQWBDYFQN-LURJTMIEBY

As for the market information, there are many suppliers in China, such as BePharm,Ltd which could provide this chemical with the packing of 5g;10g;50g;100g;500g;1KG.
 

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