4-Tolylboronic acid

Names

[ Name ]:
4-Tolylboronic acid

[Synonym ]:
(R)-N-methyl-1-phenylethanamine
(4-Methylphenyl)boronic acid
((1R)-1-phenylethyl)methylamine
Boronic acid, B-(4-methylphenyl)-
Benzenemethanamine, N,α-dimethyl-, (αR)-
4-Tolylboronic acid
MFCD00039138
4-Methylphenylboronic acid
(1R)-N-Methyl-1-phenylethanamine
(R)-N-Methyl-α-phenylethylamine
EINECS 202-766-3

Biological Activity

[Description]:

4-Tolueneboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

[Related Catalog]:

Research Areas >> Others

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
275.2±33.0 °C at 760 mmHg

[ Melting Point ]:
256-263 °C(lit.)

[ Molecular Formula ]:
C₇H₉BO₂

[ Molecular Weight ]:
135.956

[ Flash Point ]:
120.2±25.4 °C

[ Exact Mass ]:
136.069565

[ PSA ]:
12.03000

[ LogP ]:
2.05

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.528

[ Storage condition ]:
0-6°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XS7400000

CHEMICAL NAME :: p-Tolueneboronic acid

CAS REGISTRY NUMBER :: 5720-05-8

BEILSTEIN REFERENCE NO. :: 2935970

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H9-B-O2

MOLECULAR WEIGHT :: 135.97

WISWESSER LINE NOTATION :: QBQR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 172 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: APYPAY Acta Physiologica Polonica. (Karger-Libri, POB CH-4009, Warszawa, Switzerland) V.1-41, 1950-90. Volume(issue)/page/year: 12,173,1961

Safety Information

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
XS7400000

[ HS Code ]:
2931900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2931900090

[ Summary ]:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

Articles

Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids.

Bioorg. Med. Chem. Lett. 19 , 2642-5, (2009)

Inhibition of the beta-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of aromatic, arylalkenyl- and arylalky...

Direct palladium(II)-catalyzed synthesis of arylamidines from aryltrifluoroborates.

Org. Lett. 9th ed., 14 , 2394-2397, (2012)

A fast and convenient synthesis of arylamidines starting from readily available potassium aryltrifluoroborates and cyanamides is reported. The coupling was achieved by Pd(II)-catalysis in a one step 2...

Ruthenium(0)-catalyzed sp3 C-H bond arylation of benzylic amines using arylboronates.

Org. Lett. 7th ed., 14 , 1930-1933, (2012)

A Ru-catalyzed direct arylation of benzylic sp(3) carbons of acyclic amines with arylboronates is reported. This highly regioselective and efficient transformation can be performed with various combin...