1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)- supplier

Name
(R)-N-BOC-2-methylproline
EINECS
CAS No. 166170-15-6
Article Data6
CAS DataBase
Density 1.16g/cm³
Solubility
Melting Point 127-129℃
Formula C₁₁H₁₉NO₄
Boiling Point 337.762 °C at 760 mmHg
Molecular Weight 229.276
Flash Point 158.073 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (R)-;(R)-Boc-2-methylproline;
PSA 66.84000
LogP 1.79850

1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)- Specification

The 1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)-, with CAS registry number 166170-15-6, has the systematic name of (2R)-1-tert-butoxycarbonyl-2-methyl-pyrrolidine-2-carboxylic acid. Besides this, it is also called (R)-N-BOC-2-methylproline. And the chemical formula of this chemical is C₁₁H₁₉NO₄.

Physical properties of 1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)-: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.291; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.553; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 66.84 Å²; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 57.549 cm³; (14)Molar Volume: 197.631 cm³; (15)Polarizability: 22.814×10^-24cm³; (16)Surface Tension: 43.524 dyne/cm; (17)Density: 1.16 g/cm³; (18)Flash Point: 158.073 °C; (19)Enthalpy of Vaporization: 63.86 kJ/mol; (20)Boiling Point: 337.762 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m1/s1
(3)InChIKey: YQXRKJHVAUKXRN-LLVKDONJBS
(4)Std. InChI: InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)/t11-/m1/s1
(5)Std. InChIKey: YQXRKJHVAUKXRN-LLVKDONJSA-N

Product Name

(R)-N-BOC-2-methylproline

1,2-Pyrrolidinedicarboxylicacid, 2-methyl-, 1-(1,1-dimethylethyl) ester, (2R)- Specification

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