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

Name
(S)-4-METHYL-2,5-OXAZOLIDINEDIONE
EINECS 218-750-4
CAS No. 2224-52-4
Article Data61
CAS DataBase
Density 1.296 g/cm³
Solubility
Melting Point 92℃
Formula C₄H₅NO₃
Boiling Point
Molecular Weight 115.089
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 55.40000
LogP -0.02990

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%

: 59190-99-7
(2S)-2-(methoxycarbonylamino)propanoic acid

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

Conditions

Conditions	Yield
With phosphorus tribromide In diethyl ether	36.7%

: 79-37-8
oxalyl dichloride

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

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

Conditions

Conditions	Yield
With N,N-dimethyl-formamide In dichloromethane at 0℃; for 1h;	26%

: 49760-60-3
N-benzyloxycarbonyl-L-alanyl chloride

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

Conditions

Conditions	Yield
With water

: 75-44-5
phosgene

: 56-41-7
L-alanin

A: 112139-29-4
C4H5Cl2NO2

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

Conditions

Conditions	Yield
In tetrahydrofuran; N,N-dimethyl-formamide at 30℃; for 3.5h; Title compound not separated from byproducts;

...Expand

N-methoxycarbonyl-L-alanine: N-methoxycarbonyl-L-alanine

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

Conditions

Conditions	Yield
With COCl2

: 32315-10-9
bis(trichloromethyl) carbonate

: 6003-05-0, 16428-74-3, 25616-13-1, 26570-06-9
L-alanine hydrochloride

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

Conditions

Conditions	Yield
With TEA In tetrahydrofuran at 55 - 60℃;

: 56-41-7
L-alanin

(CCl3O)2CO: (CCl3O)2CO

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

Conditions

Conditions	Yield
In tetrahydrofuran at 55℃; for 2h;

: 18409-49-9
N-carbamoyl-L-alanine

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

Conditions

Conditions	Yield
With oxygen; nitrogen(II) oxide

: 75-44-5
phosgene

: 56-41-7
L-alanin

A N-(9-Fluorenylmethyloxycarbonyl)-L-Alanine-N-Carboxyanhydride: N-(9-Fluorenylmethyloxycarbonyl)-L-Alanine-N-Carboxyanhydride

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

Conditions

Conditions	Yield
In tetrahydrofuran
In tetrahydrofuran

...Expand

: 109-73-9
N-butylamine

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

: 62526-78-7
poly-L-alanine

Conditions

Conditions	Yield
In acetonitrile	100%
In acetonitrile for 96h; Ambient temperature;	85%
In acetonitrile for 96h;	7.5 g

: 100-36-7
N,N-diethylethylenediamine

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

: C36H66N12O10

Conditions

Conditions	Yield
In acetonitrile for 288h;	99%

: 72236-26-1
2-(2-(2-(2-(2-(2-aminoethoxy)-ethoxy)-ethoxy)-ethoxy)-ethoxy)-ethyl amine

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

3,6,9,12,15-pentaoxaheptadecane-1,17-diamidobis[poly(alanine)]; monomer(s): 3,6,9,12,15-pentaoxaheptadecane-1,17-diamine; L-alanine-N-carboxyanhydride: 3,6,9,12,15-pentaoxaheptadecane-1,17-diamidobis[poly(alanine)]; monomer(s): 3,6,9,12,15-pentaoxaheptadecane-1,17-diamine; L-alanine-N-carboxyanhydride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 24h;	97%

: 143-27-1
hexadecylamine

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

: (S)-2-Amino-N-{(S)-1-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-hexadecylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethylcarbamoyl]-ethyl}-propionamide

Conditions

Conditions	Yield
In acetonitrile for 96h; Ambient temperature;	92%

: 129288-33-1
N-carboxy-Nin-formyl-L-tryptophan anhydride

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

poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 4/96: poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 4/96

Conditions

Conditions	Yield
With N-butylamine In 1,2-dichloro-ethane at 30℃; for 168h; Polymerization;	89%

: 129288-33-1
N-carboxy-Nin-formyl-L-tryptophan anhydride

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

poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 16/84: poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 16/84

Conditions

Conditions	Yield
With N-butylamine In 1,2-dichloro-ethane at 30℃; for 168h; Polymerization;	88%

: 129288-33-1
N-carboxy-Nin-formyl-L-tryptophan anhydride

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

poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 13/87: poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 13/87

Conditions

Conditions	Yield
With N-butylamine In 1,2-dichloro-ethane at 30℃; for 168h; Polymerization;	86%

: 67-63-0
isopropyl alcohol

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

: 39613-92-8, 62062-56-0, 62062-65-1
alanine isopropyl ester hydrochloride

Conditions

Conditions	Yield
Stage #1: isopropyl alcohol; L-alanine N-carboxyanhydride With 1-ethyl-3-methylimidazolium hydrogensulfate In toluene at 50℃; for 20h; Stage #2: With hydrogenchloride for 0.5h;	83.2%

: 14131-63-6
D-glucosamine hydrochloride

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

: N-L-alanyl-D-glucosamine

Conditions

Conditions	Yield
With sodium methylate In methanol; acetonitrile at -50℃; for 120h;	80%

: 109-73-9
N-butylamine

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

: 62526-76-5
(S)-2-Amino-N-((S)-1-{(S)-1-[(S)-1-((S)-1-butylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-ethyl)-propionamide

Conditions

Conditions	Yield
In acetonitrile for 96h; Ambient temperature;	78%

: 129288-33-1
N-carboxy-Nin-formyl-L-tryptophan anhydride

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

poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 27/73: poly(Nin-formyl-L-tryptophan-co-L-alanine), L-Trp(CHO)/L-Ala 27/73

Conditions

Conditions	Yield
With N-butylamine In 1,2-dichloro-ethane at 30℃; for 168h; Polymerization;	78%

: 75-75-2
methanesulfonic acid

: 64-17-5
ethanol

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

: L-alanine ethyl ester methanesulfonate

Conditions

Conditions	Yield
Stage #1: methanesulfonic acid; ethanol; L-alanine N-carboxyanhydride Stage #2: In ethyl acetate for 72h; Product distribution / selectivity;	75%

...Expand

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

: 10251-27-1, 10251-28-2, 10251-30-6, 10251-31-7, 10251-32-8, 10413-79-3, 10576-91-7
hexaalanine

Conditions

Conditions	Yield
In water; acetonitrile for 96h; Ambient temperature;	70%

Reaxys ID: 15742522: Reaxys ID: 15742522

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

polyAla-polyGlu(OBzl): polyAla-polyGlu(OBzl)

Conditions

Conditions	Yield
Stage #1: L-alanine N-carboxyanhydride In 1,4-dioxane at 20℃; for 96h; Stage #2: With hydrogenchloride In 1,4-dioxane; water	70%

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

poly(L-alanine), cyclic, inherent viscosity 0.38 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): L-alanine N-carboxyanhydride: poly(L-alanine), cyclic, inherent viscosity 0.38 dl/g for 2 g/l solution in dichloroacetic acid at 20 deg C; monomer(s): L-alanine N-carboxyanhydride

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; for 96h;	68%

: 109-73-9
N-butylamine

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

: (S)-2-Amino-N-{(S)-1-[(S)-1-((S)-1-{(S)-1-[(S)-1-((S)-1-butylcarbamoyl-ethylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethylcarbamoyl]-ethyl}-propionamide

Conditions

Conditions	Yield
In acetonitrile Ambient temperature;	64%

: (1R,5S)-(1,5-diamino-5-carboxypentyl)phosphonic acid dihydrochloride

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

: (1R,5S)-(N5-(L-alanyl)-1,5-diamino-5-carboxypentyl)phosphonic acid

Conditions

Conditions	Yield
With sodium hydroxide; sodium carbonate In tetrahydrofuran at 20℃; for 0.166667h;	47%

(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

Product Name

(S)-4-METHYL-2,5-OXAZOLIDINEDIONE

Synthetic route

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

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