4-Tolylboronic acid

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Names

[ CAS No. ]:
5720-05-8

[ 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

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

  • 4-Bromotoluene
  • 4-Iodotoluene
  • P-TOLYL TRIFLATE
  • Trimethyl borate
  • 4-Chlorotoluene
  • Dimethyl (4-methylphenyl)boronate
  • 4,4,5,5-Tetramethyl-2-(p-tolyl)-1,3,2-dioxaborolane
  • Triisopropylborate
  • Magnesium
  • BUTYL BORATE

DownStream

  • 2,5-DIHYDROXY-4'-METHYLBIPHENYL
  • 1-methyl-4-(1-nitro-2-phenylethenyl)benzene
  • 5-p-tolylpyridin-2-ylamine
  • 2-amino-4'-methylbenzophenone
  • 2-(4-methylphenyl)aniline
  • 4'-(Bromo)methylphenylsulfone
  • 4'-Methyl-4-biphenylcarbonitrile
  • 1-allyl-4-methylbenzene
  • Methyl 4'-methylbiphenyl-4-carboxylate
  • 4-Pyridin-3-yl-benzoic acid

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...


More Articles

Related Compounds

  • 4-TOLYLBORONIC ACID MIDA ESTER
  • 4-Tolylboronic acid MIDA ester
  • 4-tolylboronic acid pinacol ester
  • 4-TOLYLBORONIC ACID NEOPENTYLGLYCOL CYCLIC ESTER
  • 4-TOLYLBORONIC ACID NEOPENTYLGLYCOL CYCLIC ESTER
  • 4-Fluoro-o-tolylboronic acid
  • N-{10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0,3,7]trideca-1,3(7),5,8-tetraen-5-yl}-2-(methylsulfanyl)pyridine-3-carboxamide
  • N-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenyl-1H-pyrazol-5-yl)thiophene-2-carboxamide
  • 3-(4-{[(3,4-Dimethylphenyl)amino]sulfonyl}-3,5-dimethylpyrazolyl)-1-hydroxythi olan-1-one
  • 1-Hydroxy-3-(4-{[(2-methoxy-5-methylphenyl)amino]sulfonyl}-3,5-dimethylpyrazol yl)thiolan-1-one
  • 3-(4-{[(2-Fluorophenyl)amino]sulfonyl}-3,5-dimethylpyrazolyl)-1-hydroxythiolan-1-one
  • 3-(4-{[(3-Chloro-4-fluorophenyl)amino]sulfonyl}-3,5-dimethylpyrazolyl)-1-hydro xythiolan-1-one
  • 3-{3,5-Dimethyl-4-[(methylphenylamino)sulfonyl]pyrazolyl}-1-hydroxythiolan-1-o ne
  • 3-(4-((3,4-dihydroquinolin-1(2H)-yl)sulfonyl)-3,5-dimethyl-1H-pyrazol-1-yl)tetrahydrothiophene 1,1-dioxide
  • methyl 4-(((5-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethyl)-1,3,4-oxadiazol-2-yl)thio)methyl)benzoate
  • N-[4-(dimethylamino)phenyl][1-(1,1-dioxothiolan-3-yl)-5-cyclopropylpyrazol-3-y l]carboxamide
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