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Cas Database |
| Name |
N-Boc-L-aspartic acid |
EINECS | 237-294-7 |
| CAS No. | 13726-67-5 | Density | 1.302 g/cm3 |
| PSA | 112.93000 | LogP | 0.82990 |
| Solubility | N/A | Melting Point |
116-118 °C |
| Formula | C9H15NO6 | Boiling Point | 377.4 °C at 760 mmHg |
| Molecular Weight | 233.221 | Flash Point | 182.1 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | 26-36 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Boc-Asp-OH;N-(tert-Butoxycarbonyl)-L-aspartic acid; |
Article Data | 40 |
N-Boc-L-aspartic acid Synthetic route
- 116596-40-8
Boc-β-3-picolyl-L-aspartic acid
- 13726-67-5
Boc-Asp-OH
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In water; acetic acid for 0.5h; | 100% |
- 7536-58-5
BOC-L-aspartic acid 4-benzyl ester
- 13726-67-5
Boc-Asp-OH
| Conditions | Yield |
|---|---|
| With magnesium; hydrazinium monoformate In methanol at 25℃; for 1h; | 95% |
| With hydrogen In ethanol at 20℃; under 760.051 Torr; for 4h; Schlenk technique; | 93% |
| With hydrogen In ethanol for 1h; | 80% |
- 73821-95-1
Boc-Asp(O-cyclohexyl)-OH
- 13726-67-5
Boc-Asp-OH
| Conditions | Yield |
|---|---|
| With magnesium; hydrazinium monoformate In methanol at 25℃; for 2h; | 93% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,4-dioxane; water at 20℃; Cooling with ice; | 85% |
| Stage #1: L-Aspartic acid With sodium hydroxide In 1,4-dioxane; water Stage #2: di-tert-butyl dicarbonate In 1,4-dioxane; water at 20℃; | 85% |
| With sodium hydroxide In 1,4-dioxane; water at 10 - 20℃; | 78% |
- 56-84-8
L-Aspartic acid
- 13726-67-5
Boc-Asp-OH
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; acetonitrile at 25℃; for 15h; | 80% |
| Conditions | Yield |
|---|---|
| With dmap In 1,4-dioxane; water for 15h; Ambient temperature; | 77% |
| Conditions | Yield |
|---|---|
| With triethylamine In water Ambient temperature; | 75% |
- 24424-99-5
di-tert-butyl dicarbonate
- 5269-42-1
L-Aspartic acid bis(trimethylsilyl) ester
- 13726-67-5
Boc-Asp-OH
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 23℃; | 67% |
| Conditions | Yield |
|---|---|
| With triethylamine In 1,4-dioxane; water at 20℃; for 6h; | 60% |
| With triethylamine In 1,4-dioxane; water at 20℃; for 24h; | 60% |
| With triethylamine In 1,4-dioxane; water | 60% |
| Conditions | Yield |
|---|---|
| With hydrogen In ethyl acetate Yields of byproduct given; | A n/a B 40% |
N-Boc-L-aspartic acid Specification
The N-Boc-L-aspartic acid, with the CAS registry number 13726-67-5, is also known as . It belongs to the product categories of Amino Acid Derivatives; Aspartic Acid [Asp, D]; Boc-Amino Acids and Derivative; Amino Acids; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino Acid Series. Its EINECS registry number is 237-294-7. This chemical's molecular formula is C9H15NO6 and molecular weight is 233.2185. Its IUPAC name is called 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid. The product should be sealed and stored in cool, dry and well-ventilated place. This chemical is white to off-white crystalline powder.
Physical properties of N-Boc-L-aspartic acid: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): -1.89; (3)ACD/LogD (pH 7.4): -3.63; (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: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 52.16 cm3; (13)Molar Volume: 179 cm3; (14)Surface Tension: 51.1 dyne/cm; (15)Density: 1.302 g/cm3; (16)Flash Point: 182.1 °C; (17)Enthalpy of Vaporization: 68.65 kJ/mol; (18)Boiling Point: 377.4 °C at 760 mmHg; (19)Vapour Pressure: 9.72E-07 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.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NC(CC(=O)O)C(=O)O
(2)InChI: InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)
(3)InChIKey: KAJBMCZQVSQJDE-UHFFFAOYSA-N
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