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Cas Database

Name	(S)-4-Methyloxazolidine-2,5-dione	EINECS	218-750-4
CAS No.	2224-52-4	Density	1.296 g/cm³
PSA	55.40000	LogP	-0.02990
Solubility	N/A	Melting Point	92℃
Formula	C₄H₅NO₃	Boiling Point	N/A
Molecular Weight	115.089	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(S)-4-METHYL-OXAZOLIDINE-2,5-DIONE;(S)-4-METHYL-2,5-OXAZOLIDINEDIONE;(S)-4-Methyl-2,5-oxazolidonedione;H-ALA-NCA;Alanine, NCA;N-Carboxy-L-alanine anhydride;4-methyl-1,3-oxazolidine-2,5-dione;4-methyloxazolidine-2,5-quinone	Article Data	61

(S)-4-Methyloxazolidine-2,5-dione Synthetic route

: 79-37-8
oxalyl dichloride

: 130529-76-9
C14H29NO4Si

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With N,N-dimethyl-formamide In dichloromethane at 0 - 20℃;	100%

: 15761-38-3
L-N-Boc-Ala

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With phosphorus trichloride In dichloromethane at 0℃; for 2h;	100%
With phosphorus trichloride In dichloromethane at 0℃; for 2h; Inert atmosphere;

: 56-41-7
L-alanin

: 503-38-8
trichloromethyl chloroformate

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With pyrographite In tetrahydrofuran at 55℃; for 1.5h;	85%
In tetrahydrofuran at 49℃; for 1.5h; Inert atmosphere;	81%
In tetrahydrofuran

: 32315-10-9
bis(trichloromethyl) carbonate

: 16480-55-0, 18463-04-2, 23338-69-4, 32342-58-8
sodium L-alaninate

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With 4-methyl-morpholine In water; acetonitrile at 20℃; Flow reactor;	83%

: 75-44-5
phosgene

: 56-41-7
L-alanin

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran at 30℃; for 3.5h;	79%
In tetrahydrofuran at 50℃; for 4h; Inert atmosphere;	79%
With tetrahydrofuran
With 1,4-dioxane

: 1142-20-7
N-Cbz-Ala

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With thionyl chloride	79%
With thionyl chloride	75%
With thionyl chloride

: 56-41-7
L-alanin

: 32315-10-9
bis(trichloromethyl) carbonate

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran at 60℃; for 2.5h; Inert atmosphere;	77.5%
In tetrahydrofuran at 50℃; for 4h; Inert atmosphere;	63%
In tetrahydrofuran for 2h; Inert atmosphere;	53%

: 56-41-7
L-alanin

: 67-66-3
chloroform

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With oxygen In acetonitrile at 70℃; UV-irradiation;	64%

: 56-41-7
L-alanin

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
With bis(trichloromethyl) carbonate In tetrahydrofuran at 50℃; for 3 - 4h;	60%

: 56-41-7
L-alanin

: 24424-95-1
di-tert-butyl tricarbonate

: 2224-52-4
L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran at 60℃; for 4h;	41%

(S)-4-Methyloxazolidine-2,5-dione Specification

The 2,5-Oxazolidinedione,4-methyl-, (4S)-, with the CAS registry number of 2224-52-4, is also known as N-Carboxy-L-alanine anhydride. It belongs to the product category of Aminoacids derivatives. Its EINECS registry number is 218-750-4. This chemical's molecular formula is C₄H₅NO₃ and molecular weight is 115.09. What's more, its IUPAC name is (4S)-4-Methyl-1,3-oxazolidine-2,5-dione.

Physical properties about the 2,5-Oxazolidinedione,4-methyl-, (4S)- are: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15; (8)ACD/KOC (pH 7.4): 14; (9)#H bond acceptors: 4; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 55.4 Å²; (12)Index of Refraction: 1.448; (13)Molar Refractivity: 23.758 cm³; (14)Molar Volume: 88.779 cm³; (15)Surface Tension: 35.981 dyne/cm; (16)Density: 1.296 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1OC(=O)N[C@H]1C
(2) InChI: InChI=1/C4H5NO3/c1-2-3(6)8-4(7)5-2/h2H,1H3,(H,5,7)/t2-/m0/s1
(3) InChIKey: DTETYCNJKAUROO-REOHCLBHBN

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