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CAS No.: | 7536-55-2 |
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Name: | BOC-L-Asparagine |
Article Data: | 40 |
Molecular Structure: | |
Formula: | C9H16N2O5 |
Molecular Weight: | 232.236 |
Synonyms: | Asparagine,N2-carboxy-, N2-tert-butyl ester, L- (7CI,8CI);(2S)-2-((tert-Butoxycarbonyl)amino)-3-carbamoylpropanoicacid;BOC-Asparagine;N-(tert-Butoxycarbonyl)-L-asparagine;N-Boc-L-asparagine;N2-tert-Butoxycarbonyl-L-asparagine;NSC 154980;tert-Butoxycarbonyl-L-asparagine;tert-Butyloxycarbonyl-L-asparagine;Boc-Asn-OH; |
EINECS: | 231-405-2 |
Density: | 1.253 g/cm3 |
Melting Point: | 175 °C (dec.)(lit.) |
Boiling Point: | 481.7 °C at 760 mmHg |
Flash Point: | 245.1 °C |
Appearance: | White amorphous powder |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 22-24/25-36-26 |
PSA: | 118.72000 |
LogP: | 0.93090 |
The Boc-L-Asn-OH, with the CAS registry number 7536-55-2, is also known as N2-((1,1-Dimethylethoxy)carbonyl)-L-asparagine. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; Asparagine [Asn, N]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected);B iochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 231-405-2. This chemical's molecular formula is C9H16N2O5 and molecular weight is 232.23374. Its IUPAC name is called 4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid. This chemical is used as pharmaceutical intermediate and synthesis of peptide, and for amino acids protect the monomer.
Physical properties of Boc-L-Asn-OH: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): -1.9; (3)ACD/LogD (pH 7.4): -3.31; (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: 6; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 54.16 cm3; (13)Molar Volume: 185.2 cm3; (14)Surface Tension: 49.4 dyne/cm; (15)Density: 1.253 g/cm3; (16)Flash Point: 245.1 °C; (17)Enthalpy of Vaporization: 81.75 kJ/mol; (18)Boiling Point: 481.7 °C at 760 mmHg; (19)Vapour Pressure: 1.33E-10 mmHg at 25°C.
Preparation: this chemical can be prepared by L-asparagine and di(tert-butyl) carbonate. This reaction will need reagent aq. NaOH.
Uses of Boc-L-Asn-OH: it can be used to produce BOC-Asn-Met-OEt. This reaction is a kind of . It will need reagent DCC, N-hydroxysuccinimide and solvent CH2Cl2. The yield is about 73%.
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.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)O
(2)InChI: InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)
(3)InChIKey: FYYSQDHBALBGHX-UHFFFAOYSA-N