1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)- supplier

Name
(S)-4-METHYLENE-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
EINECS
CAS No. 84348-38-9
Article Data14
CAS DataBase
Density 1.18 g/cm³
Solubility Insoluble in water.
Melting Point 110-114 °C
Formula C₁₁H₁₇NO₄
Boiling Point 349.859 °C at 760 mmHg
Molecular Weight 227.26
Flash Point 165.389 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (S)-;N-tert-Butoxycarbonyl-4-methylene-L-proline;1-(tert-butoxycarbonyl)-4-methylidene-L-proline;1,2-pyrrolidinedicarboxylic acid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)-;
PSA 66.84000
LogP 1.57450

1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)- Specification

The 1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)-, with the CAS registry number 84348-38-9, has the systematic name of 1-(tert-butoxycarbonyl)-4-methylidene-L-proline. It belongs to the product category of Pharmaceuticals. And the molecular formula of this chemical is C₁₁H₁₇NO₄.

The physical properties of 1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)- are as following: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (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: 66.84 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 57.846 cm³; (15)Molar Volume: 192.387 cm³; (16)Polarizability: 22.932×10^-24cm³; (17)Surface Tension: 43.724 dyne/cm; (18)Density: 1.181 g/cm³; (19)Flash Point: 165.389 °C; (20)Enthalpy of Vaporization: 65.308 kJ/mol; (21)Boiling Point: 349.859 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(O)=O
(2)InChI: InChI=1/C11H17NO4/c1-7-5-8(9(13)14)12(6-7)10(15)16-11(2,3)4/h8H,1,5-6H2,2-4H3,(H,13,14)/t8-/m0/s1
(3)InChIKey: ULLGRIBXGPATMA-QMMMGPOBBD

Product Name

(S)-4-METHYLENE-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER

1,2-Pyrrolidinedicarboxylicacid, 4-methylene-, 1-(1,1-dimethylethyl) ester, (2S)- Specification

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