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CAS No.: | 2304-96-3 |
---|---|
Name: | N-Benzyloxycarbonyl-L-asparagine |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C12H14N2O5 |
Molecular Weight: | 266.254 |
Synonyms: | Z-Asn-OH;Asparagine,N2-carboxy-, N-benzyl ester (6CI,7CI);Asparagine, N2-carboxy-, N2-benzylester, L- (8CI);Carbobenzoxy-L-asparagine;N2-(Benzyloxycarbonyl)-L-asparagine;NSC 59837;NSC 88498; |
EINECS: | 218-969-5 |
Density: | 1.355 g/cm3 |
Melting Point: | 160-165 °C |
Boiling Point: | 580.6 °C at 760 mmHg |
Flash Point: | 304.9 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 24/25-36-26 |
PSA: | 118.72000 |
LogP: | 1.33260 |
(S)-N-benzyloxycarbonylaspargine t-butyl ester
N-benzyloxycarbonyl-L-asparagine
Conditions | Yield |
---|---|
With triethylsilane; trifluoroacetic acid In dichloromethane for 0.583333h; Ambient temperature; | 98% |
Conditions | Yield |
---|---|
With triethylamine In water Ambient temperature; | 95% |
Conditions | Yield |
---|---|
With sodium carbonate In water | 85% |
With sodium carbonate In 1,4-dioxane; water at 20℃; Substitution; | 84% |
With sodium carbonate In 1,4-dioxane at 0 - 20℃; Inert atmosphere; | 84% |
N-benzyloxycarbonyl-L-asparagine
Conditions | Yield |
---|---|
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; | 83% |
N-benzyloxycarbonyl-D,L-asparagine methyl ester
A
N-benzyloxycarbonyl-L-asparagine
B
N-benzyloxycarbonyl-D-asparagine methyl ester
Conditions | Yield |
---|---|
With sodium hydroxide; Alcalase 2.4L from Bacillus sp; sodium chloride In tetrahydrofuran; phosphate buffer for 16h; pH=6.5; | A n/a B 46% |
With sodium hydroxide; Alcalase 2.4L from Bacillus sp; sodium chloride In tetrahydrofuran; phosphate buffer for 2.1h; pH=6.5; | A 44% B n/a |
L-Phenylalanine amide
B
N-benzyloxycarbonyl-L-asparagine
C
Z-Asn-Phe-NH2
Conditions | Yield |
---|---|
With sodium chloride; calcium chloride; papain In N,N-dimethyl-formamide at 25℃; for 0.416667h; pH=8; aq. buffer; Enzymatic reaction; | A n/a B 30.2% C 6.1% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate; benzyl chloroformate |
Conditions | Yield |
---|---|
With ammonia |
N-benzyloxy-carbonyl-DL-asparagine
N-benzyloxycarbonyl-L-asparagine
Conditions | Yield |
---|---|
With Cinchonin | |
Multi-step reaction with 2 steps 1: 91 percent / SOCl2 / 0.25 h / 0 °C 2: 44 percent / Alcalase 2.4L from Bacillus sp.; NaCl; NaOH / aq. phosphate buffer; tetrahydrofuran / 2.1 h / pH 6.5 View Scheme |
N-(benzyloxycarbonyl)-L-aspartic acid 4-methyl ester
N-benzyloxycarbonyl-L-asparagine
Conditions | Yield |
---|---|
With ammonia |
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The N-Benzyloxycarbonyl-L-asparagine, with the CAS registry number 2304-96-3, is also known as Carbobenzoxy-L-asparagine. It belongs to the product categories of Chiral; Amino Acid Derivatives; Protected Amino Acid & Peptides; Asparagine [Asn, N]; Z-Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Chiral Compounds; Z-Amino Acid Series. Its EINECS registry number is 218-969-5. This chemical's molecular formula is C12H14N2O5 and molecular weight is 266.25. Its IUPAC name is called 4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid. This chemical is white to light yellow crystal powder. The product should be sealed and stored in cool, dry place.
Physical properties of N-Benzyloxycarbonyl-L-asparagine: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): -1.3; (3)ACD/LogD (pH 7.4): -2.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 64.79 cm3; (13)Molar Volume: 196.3 cm3; (14)Surface Tension: 61 dyne/cm; (15)Density: 1.355 g/cm3; (16)Flash Point: 304.9 °C; (17)Enthalpy of Vaporization: 91.34 kJ/mol; (18)Boiling Point: 580.6 °C at 760 mmHg; (19)Vapour Pressure: 2.54E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. Finally, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)O
(2)InChI: InChI=1S/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)
(3)InChIKey: FUCKRCGERFLLHP-UHFFFAOYSA-N