(4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide - CAS 161344-85-0
Catalog: |
BB011730 |
Product Name: |
(4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide |
CAS: |
161344-85-0 |
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 |
Description: | Preparation of biologically and pharmacologically active molecules. |
Molecular Weight: | 270.13 |
Molecular Formula: | C12H23N2O4B |
Canonical 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 |
MDL: | MFCD04113606 |
LogP: | 0.23510 |
Refractive Index: | n20/D 1.478 (lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
Publication Number | Title | Priority Date |
EP-2900242-A1 | Substituted cyclopropyl compounds | 20120926 |
US-2015274664-A1 | Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment | 20120926 |
WO-2014052379-A1 | Substituted cyclopropyl compounds | 20120926 |
US-2014329798-A1 | Substituted cyclopropyl compounds useful as gpr119 agonists | 20111115 |
US-9018224-B2 | Substituted cyclopropyl compounds useful as GPR119 agonists | 20111115 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.1750874 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.1750874 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 59.1 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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