Ethyl Boc-D-pyroglutamate supplier

Name
1-BOC-D-PYROGLUTAMIC ACID ETHYL ESTER
EINECS
CAS No. 144978-35-8
Article Data41
CAS DataBase
Density 1.182 g/cm³
Solubility
Melting Point 54.0 to 58.0 °C
Formula C₁₂H₁₉NO₅
Boiling Point 374.983 °C at 760 mmHg
Molecular Weight 257.287
Flash Point 180.584 °C
Transport Information
Appearance white power
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (R)-;(R)-1-(tert-Butoxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid ethyl ester;
PSA 72.91000
LogP 1.41350

Ethyl Boc-D-pyroglutamate Specification

The 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2R)- is an organic compound with the formula C₁₂H₁₉NO₅. The systematic name of this chemical is 1-tert-butyl 2-ethyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate. With the CAS registry number 144978-35-8, it is also named as 1-Boc-D-pyroglutamic acid ethyl ester. The product's category is Amino Acids and Derivatives.

The other characteristics of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-ethyl ester, (2R)- can be summarized as: (1)ACD/LogP: 0.09; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5 ; (6)Polar Surface Area: 72.91 ?2; (7)Index of Refraction: 1.486; (8)Molar Refractivity: 62.54 cm³; (9)Molar Volume: 217.5 cm³; (10)Polarizability: 24.79×10^-24 cm³; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.182 g/cm³; (13)Flash Point: 180.6 °C ; (14)Enthalpy of Vaporization: 62.24 kJ/mol; (15)Boiling Point: 375 °C at 760 mmHg; (16)Vapour Pressure: 8.03E-06 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N1C(=O)CC[C@@H]1C(=O)OCC
2. InChI:InChI=1/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
3. InChIKey:YWWWGFSJHCFVOW-MRVPVSSYBV
4. Std. InChI:InChI=1S/C12H19NO5/c1-5-17-10(15)8-6-7-9(14)13(8)11(16)18-12(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
5. Std. InChIKey:YWWWGFSJHCFVOW-MRVPVSSYSA-N

Product Name

1-BOC-D-PYROGLUTAMIC ACID ETHYL ESTER

Ethyl Boc-D-pyroglutamate Specification

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