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| CAS No.: | 24277-39-2 |
|---|---|
| Name: | Boc-L-glutamic acid 1-tert-butyl ester |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C14H25NO6 |
| Molecular Weight: | 303.356 |
| Synonyms: | Glutamicacid, N-carboxy-, N,1-di-tert-butyl ester, L- (8CI);(4S)-5-tert-Butoxy-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoicacid;BOC-L-glutamic acidtert-butyl ester;N-a-tert-Butoxycarbonyl-L-glutamic acid a-tert butyl ester; |
| Density: | 1.121 g/cm3 |
| Melting Point: | 111.0 to 115.0 °C |
| Boiling Point: | 449.8 °C at 760 mmHg |
| Flash Point: | 225.8 °C |
| Appearance: | white powder |
| Risk Codes: | 22/22-36/37/38 |
| Safety: | 4-7-28-35-44 |
| PSA: | 101.93000 |
| LogP: | 2.47710 |
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Specification
The IUPAC name of Boc-Glu-OtBu is 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid. With the CAS registry number 24277-39-2, it is also named as (4S)-5-tert-Butoxy-4-[(tert-butoxycarbonyl)amino]-5-oxopentanoic acid (non-preferred name); L-glutamic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(1,1-dimethylethyl) ester; Boc-L-glutamic acid 1-tert-butyl ester.
The product categories are amino acids, glutamic acid [Glu, E] and Boc-amino acids and derivative. It is white powder which can be used as pharmaceutical intermediates in Peptide synthesis. This chemical must be stored normal temperature and avoid direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/BCF (pH 5.5): 6.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 63.3; (7)ACD/KOC (pH 7.4): 1.01; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.47; (12)Molar Refractivity: 75.5 cm3; (13)Molar Volume: 270.5 cm3; (14)Polarizability: 29.93×10-24 cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Enthalpy of Vaporization: 77.66 kJ/mol; (17)Vapour Pressure: 2.42E-09 mmHg at 25°C; (18)Rotatable Bond Count: 9; (19)Tautomer Count: 2; (20)Exact Mass: 303.168188; (21)MonoIsotopic Mass: 303.168188; (22)Topological Polar Surface Area: 102; (23)Heavy Atom Count: 21; (24)Complexity: 391.
People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)OC(C)(C)C)CCC(=O)O; InChI: InChI=1/C14H25NO6/c1-13(2,3)20-11(18)9(7-8-10(16)17)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,16,17)/t9-/m0/s1. Boc-Glu-OtBu has many suppliers, such as GL Biochem (Shanghai) Ltd., Chengdu Chempep New Technology Co., Ltd. and Shanghai Biochemical Co., Ltd.. The price of this product changes with the market.