Boc-D-Pyroglutamic Acid Methyl Ester supplier

Name
(R)-N-BOC-5-METHOXYCARBONYL-2-PYRROLIDINONE
EINECS
CAS No. 128811-48-3
Article Data13
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point 68-69 °C
Formula C₁₁H₁₇NO₅
Boiling Point 361.637 °C at 760 mmHg
Molecular Weight 243.26
Flash Point 172.512 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (R)-;Methyl(R)-N-(tert-butoxycarbonyl)pyroglutamate;(R)-N-Boc-5-methoxycarbonyl-2-pyrrolidinone;
PSA 72.91000
LogP 1.02340

Boc-D-Pyroglutamic Acid Methyl Ester Specification

The systematic name of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- is 1-tert-butyl 2-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate. With the CAS registry number 128811-48-3, it is also named as Boc-L-pyroglutamic acid methyl ester. The product's category is Amino Acids. In addition, its molecular formula is C₁₁H₁₇NO₅ and molecular weight is 243.26.

The other characteristics of 1,2-Pyrrolidinedicarboxylicacid, 5-oxo-, 1-(1,1-dimethylethyl) 2-methyl ester, (2R)- can be summarized as: (1)ACD/LogP: -0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.75; (8)ACD/KOC (pH 7.4): 13.75; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.91 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 57.9 cm³; (15)Molar Volume: 201 cm³; (16)Polarizability: 22.95×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.209 g/cm³; (19)Flash Point: 172.5 °C; (20)Enthalpy of Vaporization: 60.75 kJ/mol; (21)Boiling Point: 361.6 °C at 760 mmHg; (22)Vapour Pressure: 2.04E-05 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)OC
(2)InChI: InChI=1/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
(3)InChIKey: FNTAOUUEQHKLIU-ZETCQYMHBG
(4)Std. InChI: InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
(5)Std. InChIKey: FNTAOUUEQHKLIU-ZETCQYMHSA-N

Product Name

(R)-N-BOC-5-METHOXYCARBONYL-2-PYRROLIDINONE

Boc-D-Pyroglutamic Acid Methyl Ester Specification

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