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CYCLOBUTYLBORONICACID

CYCLOBUTYLBORONICACID structure

CAS No:
849052-26-2
Formula:
C4H9BO2
Chemical Name:
CYCLOBUTYLBORONICACID
Synonyms:
Cyclobutaneboronic acid;Cyclobutylboronic acid >=95.0%;Boronic acid,B-cyclobutyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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CYCLOBUTYLBORONICACID Basic Attributes

Molecular Weight：

99.92

Exact Mass：

100.0695597

EC Number：

200-258-5

DSSTox ID：

DTXSID40584591

Characteristics

Density：

1.06

Melting Point：

118-123 °C (lit.)

Boiling Point：

219℃

PKA：

10.47±0.20

Safety Information

wgk germany：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

CYCLOBUTYLBORONICACID Use and Manufacturing

CYCLOBUTYLBORONIC ACID is used in palladium-catalyzed arylation and alkylation of diphenylisoxazole with boronic acids via C-H activated isoxazole palladacycle intermediate Reagent used in the preparation of cyclobutyl arenes and heteroarenes via palladium catalyzed Suzuki-Miyaura cross-coupling reaction of potassium cyclobutyltrifluoroborate intermediate with aryl and heteroaryl chlorides.

Computed Properties

Molecular Weight:99.93
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:100.0695597
Monoisotopic Mass:100.0695597
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:60.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 849052-26-2

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CAS No.: 849052-26-2

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