588423
Phenethylboronic acid
Sinonimo/i:
2-Phenylethaneboronic acid
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About This Item
Formula condensata:
C6H5CH2CH2B(OH)2
Numero CAS:
Peso molecolare:
149.98
Numero MDL:
Codice UNSPSC:
12352103
ID PubChem:
NACRES:
NA.22
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Punto di fusione
76-81 °C (lit.)
Livello qualitativo
Stringa SMILE
OB(O)CCc1ccccc1
InChI
1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
VPRUMANMDWQMNF-UHFFFAOYSA-N
Applicazioni
Reactant involved in:
Reactant used in studies of the stability of boronic esters to hydrolysis
- Suzuki-Miyaura cross-coupling reactions
- Reactions with α-diazocarbonyl compounds
- C-H functionalization of quinones
- Cross-coupling with aromatic amines
- Arylation and alkylation of diphenylisoxazole
Reactant used in studies of the stability of boronic esters to hydrolysis
Altre note
Contains varying amounts of anhydride
Codice della classe di stoccaggio
11 - Combustible Solids
Classe di pericolosità dell'acqua (WGK)
WGK 3
Punto d’infiammabilità (°F)
Not applicable
Punto d’infiammabilità (°C)
Not applicable
Dispositivi di protezione individuale
Eyeshields, Gloves, type N95 (US)
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B Goz et al.
Biochemical pharmacology, 35(20), 3587-3591 (1986-10-15)
Several compounds have been tested for their ability to inhibit bovine pancreatic alpha-chymotrypsin (Ki) and their ability to inhibit cell replication (IC50). There is good agreement over three orders of magnitude between the Ki and the IC50 values of these
A calorimetric investigation of the binding of indole and phenylethane boronic acid to chymotrypsin.
J B Jones et al.
The Journal of biological chemistry, 258(4), 2135-2142 (1983-02-25)
The heat of formation of the chymotrypsin-phenylethane boronic acid complex has been observed calorimetrically from pH 4 to 8 at 25 degrees C and is found to be pH-dependent, changing from near -6 kcal/mol at pH 4 to -13 kcal/mol
Structure of a tetrahedral transition state complex of alpha-chymotrypsin dimer at 1.8-A resolution.
A Tulinsky et al.
The Journal of biological chemistry, 262(16), 7737-7743 (1987-06-05)
A 1.8-A resolution x-ray crystallographic restrained least squares refinement has been carried out on the phenylethane boronic acid (PEBA) complex of alpha-chymotrypsin dimer (alpha-CHT), and it has been compared to the 1.67-A resolution structure of the native enzyme. PEBA has
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