Cyclohexylboronic acid

Product Information

Molecular Formula:
C6H13BO2
Molecular Weight:
127.97
Description
Reactant involved in: HF-free synthesis of tetrabutylammonium trifluoroborates; Cross-coupling with aromatic amines; Suzuki cross-coupling reactions; Arylation and alkylation of diphenylisoxazole.
Synonyms
Boronic acid, cyclohexyl-
IUPAC Name
cyclohexylboronic acid
Canonical SMILES
B(C1CCCCC1)(O)O
InChI
InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
InChI Key
XDRVAZAFNWDVOE-UHFFFAOYAS
Flash Point
Not applicable
Purity
97+ %

Safety Information

Precautionary Statement
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
128.1008598 g/mol
Monoisotopic Mass
128.1008598 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
79.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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
CN-113801037-A One-step method for preparing C-N coupling product from nitroaromatic and alkyl or phenyl boric acid 2021-08-24
CN-112225668-A Synthetic method of alpha-alkyl glycine compound 2020-09-30
CN-112079729-A Preparation method of 3-alkyl-5-trifluoromethylaniline 2020-09-22
CN-114075133-A Amine compound and light-emitting device including the same 2020-08-20
JP-2022036048-A Amine compounds and light emitting devices containing them 2020-08-20
US-2022059770-A1 Amine compound and light-emitting device including same 2020-08-20
JP-2022021687-A Method for Producing N-Substituted (Meta) Acrylamide 2020-07-22
WO-2022003712-A1 Quinazolinones derivatives for treatment of non-alcoholic fatty liver disease, preparation and use thereof 2020-06-29
WO-2021220919-A1 Method for producing surface-modified metal oxide microparticles, method for producing surface-modified metal oxide microparticle dispersion, and method for producing solid product 2020-05-01
WO-2021220920-A1 Method for producing surface-modified metal oxide microparticles, surface-modified metal oxide microparticles, surface-modified metal oxide microparticle dispersion, solid product, method for producing surface-modified metal oxide microparticle dispersion, and method for producing solid product 2020-05-01

Literatures

PMID Publication Date Title Journal
9547096 1998-01-01 Evidence that spinal endogenous opioidergic systems control the expression of chronic pain-related behaviors in spinally injured rats Experimental brain research
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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