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(4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

(4R,5R)-2-Butyl-N,N,N',N'-tetramethyl-1,3,2-dioxaborolane-4,5-dicarboxamide

Inquiry

Molecular Formula:

C12H23N2O4B

Molecular Weight:

270.13

CAS Number:

161344-85-0

Catalog Number:

161344-85-0

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

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

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

270.1750874 g/mol

Monoisotopic Mass

270.1750874 g/mol

Topological Polar Surface Area

59.1Å²

Heavy Atom Count

Formal Charge

Complexity

308

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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