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CAS No.: | 14825-82-2 |
---|---|
Name: | (S)-(-)-4-BENZYLOXAZOLIDINE-2,5-DIONE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C10H9NO3 |
Molecular Weight: | 191.186 |
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; |
Density: | 1.3 g/cm3 |
Melting Point: | 90 °C |
Safety: | 22-24/25 |
PSA: | 55.40000 |
LogP: | 1.19290 |
Conditions | Yield |
---|---|
With N,N-dimethyl-formamide In dichloromethane at 0 - 20℃; | 100% |
bis(trichloromethyl) carbonate
L-phenylalanine sodium salt
L-phenylalanine-N-carboxyanhydride
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% |
N-tert-butoxycarbonyl-L-phenylalanine
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
With phosphorus trichloride In dichloromethane at 0℃; for 2h; | 98% |
With bis(trichloromethyl) carbonate; triethylamine In ethyl acetate Ambient temperature; | 75% |
bis(trichloromethyl) carbonate
L-phenylalanine
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
In tetrahydrofuran at 50℃; | 94% |
In tetrahydrofuran at 40℃; Inert atmosphere; | 91.5% |
In tetrahydrofuran at 50℃; Inert atmosphere; | 84% |
1,1,1,3,3,3-hexachloro-propan-2-one
L-phenylalanine
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
In tetrahydrofuran at 50℃; Inert atmosphere; | 91.5% |
Conditions | Yield |
---|---|
In tetrahydrofuran; toluene at 50℃; for 1h; | 86% |
In tetrahydrofuran; toluene at 50℃; for 1.5h; | 86% |
L-phenylalanine
trichloromethyl chloroformate
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
With pyrographite In tetrahydrofuran at 55℃; for 0.5h; | 86% |
In tetrahydrofuran at 40 - 50℃; for 3h; | 42.8% |
In tetrahydrofuran phosgenation; |
L-phenylalanine-N-carboxyanhydride
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% |
N-Cbz-L-Phe
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
With 1-pyrrolidinecarboxaldehyde; 1,3,5-trichloro-2,4,6-triazine In acetonitrile at 20℃; for 8h; | 69% |
N-methoxycarbonyl-L-phenylalanine
L-phenylalanine-N-carboxyanhydride
Conditions | Yield |
---|---|
With phosphorus tribromide In diethyl ether | 66.8% |
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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