(4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
Product Information
Molecular Formula
C12H23N2O4B
Molecular Weight
270.13
Description
Preparation of biologically and pharmacologically active molecules.
Synonyms
2-butyl-N4,N4,N5,N5-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide; 2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
IUPAC Name
2-butyl-4-N,4-N,5-N,5-N-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide
SMILES
B1(OC(C(O1)C(=O)N(C)C)C(=O)N(C)C)CCCC
InChI
InChI=1S/C12H23BN2O4/c1-6-7-8-13-18-9(11(16)14(2)3)10(19-13)12(17)15(4)5/h9-10H,6-8H2,1-5H3
InChI Key
AFQWQRBBIZKYTE-UHFFFAOYSA-N
Boiling Point
178-179 °C (lit.)
Flash Point
Not applicable
Density
1.072 g/mL at 25 °C (lit.)
Appearance
Liquid
Refractive Index
n20/D 1.478 (lit.)
LogP
0.23510
Safety Information
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
5
Exact Mass
270.1750874 g/mol
Monoisotopic Mass
270.1750874 g/mol
Topological Polar Surface Area
59.1Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
308
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-2900242-A1 | Substituted cyclopropyl compounds | 2012-09-26 |
| US-2015274664-A1 | Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment | 2012-09-26 |
| WO-2014052379-A1 | Substituted cyclopropyl compounds | 2012-09-26 |
| US-2014329798-A1 | Substituted cyclopropyl compounds useful as gpr119 agonists | 2011-11-15 |
| US-9018224-B2 | Substituted cyclopropyl compounds useful as GPR119 agonists | 2011-11-15 |
| US-2014296202-A1 | Substituted piperidinyl compounds useful as gpr119 agonists | 2011-10-24 |
| US-9018200-B2 | Substituted piperidinyl compounds useful as GPR119 agonists | 2011-10-24 |
| US-2014256699-A1 | Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment | 2011-09-30 |
| US-2014128368-A1 | Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment | 2011-06-16 |
| US-9006228-B2 | Substituted cyclopropyl compounds, compositions containing such compounds, and methods of treatment | 2011-06-16 |
