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Allenylboronic acid pinacol ester

Allenylboronic acid pinacol ester - CAS 865350-17-0

Catalog:	BB037979
Product Name:	Allenylboronic acid pinacol ester
CAS:	865350-17-0
Synonyms:	4,4,5,5-tetramethyl-2-propa-1,2-dienyl-1,3,2-dioxaborolane

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Computed Properties

Description:	Allenylboronic acid pinacol ester (CAS# 865350-17-0) is a useful research chemical.
Molecular Weight:	166.03
Molecular Formula:	C9H15BO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C=C=C
InChI:	InChI=1S/C9H15BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h7H,1H2,2-5H3
InChI Key:	CJAOMXUZZONOSD-UHFFFAOYSA-N
Boiling Point:	81 °C / 18.6 mmHg
Flash Point:	150.1 °F - closed cup
Purity:	95 %
Density:	0.94 g/cm³
Appearance:	Colorless to pale yellow clear liquid
Storage:	2-8 °C
MDL:	MFCD09265121
LogP:	1.95890
Refractive Index:	n20/D 1.459

Publication Number	Title	Priority Date
KR-101595730-B1	Methods for preparing alpha-silylamine compounds from alpha-silylmethyl azide compounds	20141001
US-2017210765-A1	Process for preparing alpha-silylamine compounds from alpha-silylmethyl azide compounds	20141001
WO-2016053017-A1	Process for preparing alpha-silylamine compounds from alpha-silylmethyl azide compounds	20141001
US-2015057451-A1	Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols	20120301
US-9328061-B2	Simple organic molecules as catalysts for practical and efficient enantioselective synthesis of amines and alcohols	20120301

PMID	Publication Date	Title	Journal
22214185	20120125	Site- and enantioselective formation of allene-bearing tertiary or quaternary carbon stereogenic centers through NHC-Cu-catalyzed allylic substitution	Journal of the American Chemical Society

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Complexity:	211
Compound Is Canonicalized:	No
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.1165099
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.1165099
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0