-
Name
BOC-DL-PRO-OH
- EINECS
- CAS No. 59433-50-0
- Article Data220
- CAS DataBase
- Density 1.201 g/cm3
- Solubility
- Melting Point 133-135 °C
- Formula C10H17NO4
- Boiling Point 337.2 °C at 760 mmHg
- Molecular Weight 215.249
- Flash Point 157.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(tert-Butoxycarbonyl)proline;1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid;1-tert-Butyl1,2-pyrrolidinedicarboxylate;N-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylicacid;N-tert-Butoxycarbonyl-DL-proline;NSC 108689;Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester;
- PSA 66.84000
- LogP 1.40840
Boc-DL-proline Specification
The 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, with the CAS registry number 59433-50-0, is also known as 1-(tert-Butoxycarbonyl)pyrrolidine-2-carboxylic acid. It belongs to the product categories of Boc-Amino Acids and Derivative; Boc-Amino acid series. This chemical's molecular formula is C10H17NO4 and molecular weight is 215.25. What's more, its systematic name is 1-(tert-butoxycarbonyl)proline. It is used as pharmaceutical intermediate.
Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.52; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 52.93 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 20.98×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.201 g/cm3; (19)Flash Point: 157.7 °C; (20)Enthalpy of Vaporization: 63.79 kJ/mol; (21)Boiling Point: 337.2 °C at 760 mmHg; (22)Vapour Pressure: 2E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(C(=O)O)CCC
(2)Std. InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
(3)Std. InChIKey: ZQEBQGAAWMOMAI-UHFFFAOYSA-N
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