ChemicalBook--->CAS DataBase List--->42599-16-6

42599-16-6

42599-16-6 Structure

42599-16-6 Structure
IdentificationMore
[Name]

E-1-OCTENYLBORONIC ACID
[CAS]

42599-16-6
[Synonyms]

E-1-OCTENYLBORONIC ACID
E-OCTEN-1-YLBORONIC ACID
RARECHEM AL BA 0034
TRANS-1-OCTEN-1-YLBORONIC ACID
TRANS-OCTENYLBORONIC ACID
[Molecular Formula]

C8H17BO2
[MDL Number]

MFCD02093734
[Molecular Weight]

156.03
[MOL File]

42599-16-6.mol
Chemical PropertiesBack Directory
[Melting point ]

100-104 °C(lit.)
[Boiling point ]

263.2±23.0 °C(Predicted)
[density ]

0.911±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[pka]

9.84±0.43(Predicted)
[Appearance]

White to off-white Solid
[Water Solubility ]

Insoluble in water. Soluble in organic solvents.
[InChI]

1S/C8H17BO2/c1-2-3-4-5-6-7-8-9(10)11/h7-8,10-11H,2-6H2,1H3/b8-7+
[InChIKey]

RBTAJLKAPFBZDQ-BQYQJAHWSA-N
[SMILES]

CCCCCC\C=C\B(O)O
[CAS DataBase Reference]

42599-16-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2931900090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Uses]

Reactant for:• ;Chiral palladacycle-catalyzed asymmetric ring-opening reaction1• ;Enantioselective conjugate addition catalyzed by acyltartaric acids2• ;Copper-mediated oxidative cross-coupling reactions3• ;Diastereoselective domino Heck-Suzuki reactions4
[Uses]

trans-1-Octenylboronic acid, is used as a reagent of boronic esters in Suzuki-Miyaura cross-couplings.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 95, p. 5786, 1973 DOI: 10.1021/ja00798a071
Spectrum DetailBack Directory
[Spectrum Detail]

E-1-OCTENYLBORONIC ACID(42599-16-6)1HNMR
E-1-OCTENYLBORONIC ACID(42599-16-6)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

42599-16-6(sigmaaldrich)
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