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Name	2,5-Oxazolidinedione,4-(phenylmethyl)-, (4S)-	EINECS	N/A
CAS No.	14825-82-2	Density	1.3 g/cm³
PSA	55.40000	LogP	1.19290
Solubility	N/A	Melting Point	90 °C
Formula	C₁₀H₉NO₃	Boiling Point	N/A
Molecular Weight	191.186	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	22-24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	2,5-Oxazolidinedione,4-(phenylmethyl)-, (S)-;2,5-Oxazolidinedione, 4-benzyl-, L- (8CI);(-)-4-Benzyl-2,5-oxazolidinedione;(S)-4-(Phenylmethyl)-2,5-oxazolidinedione;L-Phenylalanine N-carboxy anhydride;N-Carboxy-L-phenylalanine anhydride;N-Carboxy-L-phenylalanine cyclic anhydride;Phenylalanine N-carboxy anhydride;Phenylalanine-N-carboxy acid anhydride;(4S)-4-Benzyl-1,3-oxazolidine-2,5-dione;	Article Data	47

2,5-Oxazolidinedione,4-(phenylmethyl)-, (4S)- Synthetic route

: 79-37-8
oxalyl dichloride

: 130529-77-0
C20H33NO4Si

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

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

: 32315-10-9
bis(trichloromethyl) carbonate

: 16480-57-2
L-phenylalanine sodium salt

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
With 4-methyl-morpholine In water; acetonitrile at 20℃; for 0.00277778h; Reagent/catalyst; Flow reactor; Inert atmosphere;	100%
Stage #1: bis(trichloromethyl) carbonate; L-phenylalanine sodium salt With 4-methyl-morpholine In water; acetonitrile at 20℃; for 2.77778E-05h; Stage #2: In water; ethyl acetate; acetonitrile at 20℃; for 0.000261111h; Solvent; Reagent/catalyst;	100%

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
With phosphorus trichloride In dichloromethane at 0℃; for 2h;	98%
With bis(trichloromethyl) carbonate; triethylamine In ethyl acetate Ambient temperature;	75%

: 32315-10-9
bis(trichloromethyl) carbonate

: 63-91-2
L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃;	94%
In tetrahydrofuran at 40℃; Inert atmosphere;	91.5%
In tetrahydrofuran at 50℃; Inert atmosphere;	84%

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 63-91-2
L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran at 50℃; Inert atmosphere;	91.5%

: 75-44-5
phosgene

: 63-91-2
L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
In tetrahydrofuran; toluene at 50℃; for 1h;	86%
In tetrahydrofuran; toluene at 50℃; for 1.5h;	86%

: 63-91-2
L-phenylalanine

: 503-38-8
trichloromethyl chloroformate

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
With pyrographite In tetrahydrofuran at 55℃; for 0.5h;	86%
In tetrahydrofuran at 40 - 50℃; for 3h;	42.8%
In tetrahydrofuran phosgenation;

: N-phenoxycarbonyl-L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
Stage #1: N-phenoxycarbonyl-L-phenylalanine With acetic acid In acetonitrile at 80℃; Inert atmosphere; Stage #2: With hydrogenchloride In water; acetonitrile at 20℃; for 1h; Inert atmosphere;	78%

: 1161-13-3
N-Cbz-L-Phe

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
With 1-pyrrolidinecarboxaldehyde; 1,3,5-trichloro-2,4,6-triazine In acetonitrile at 20℃; for 8h;	69%

: 41844-91-1
N-methoxycarbonyl-L-phenylalanine

: 14825-82-2
L-phenylalanine-N-carboxyanhydride

Conditions

Conditions	Yield
With phosphorus tribromide In diethyl ether	66.8%

2,5-Oxazolidinedione,4-(phenylmethyl)-, (4S)- Specification

The 2,5-Oxazolidinedione,4-(phenylmethyl)-, (4S)-, with the CAS registry number 14825-82-2, is also known as L-Phenylalanine N-carboxy anhydride. This chemical's molecular formula is C₁₀H₉NO₃ and molecular weight is 191.18. What's more, its systematic name is (4S)-4-benzyl-1,3-oxazolidine-2,5-dione. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

Physical properties of 2,5-Oxazolidinedione,4-(phenylmethyl)-, (4S)- are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 120; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.4 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 48.216 cm³; (15)Molar Volume: 147.089 cm³; (16)Polarizability: 19.114×10^-24cm³; (17)Surface Tension: 50.081 dyne/cm; (18)Density: 1.3 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N[C@@H](Cc1ccccc1)C(=O)O2
(2)InChI: InChI=1S/C10H9NO3/c12-9-8(11-10(13)14-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,13)/t8-/m0/s1
(3)InChIKey: GQBIVYSGPXCELZ-QMMMGPOBSA-N

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