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Home > Encyclopedia > 1-Phenyl-1H-benzotriazole

1-Phenyl-1H-benzotriazole

1-Phenyl-1H-benzotriazole structure

1-Phenyl-1H-benzotriazole 

structure
  • CAS No:

    883-39-6

  • Formula:

    C12H9N3

  • Chemical Name:

    1-Phenyl-1H-benzotriazole

  • Synonyms:

    1-Phenyl-1H-benzo[d][1,2,3]triazole;1-Phenylbenzotriazole;1H-Benzotriazole, 1-phenyl-;1-Phenyl-1,2,3-benzotriazole;1-Phenyl-1H-1,2,3-benzotriazole;1-Phenyl-1H-benzotriazole;1 -Phenylbenzotriazole;MLS000701318;SCHEMBL165333;BDBM3793

1-Phenyl-1H-benzotriazole Basic Attributes

195.22

195.08

DTXSID20236940

2933990090

Characteristics

30.7

2.8

1.21±0.1 g/cm3(Predicted)

108-109 °C

359.3°C at 760 mmHg

171.1ºC

1.674

3.9 [ug/mL]

1-Phenyl-1H-benzotriazole Use and Manufacturing

General procedure: To a solution of Cu(OAc)General procedure: To a solution of N-heterocycle (1 equiv), bromobenzene (1.02 equiv) and In a 5 mL Schlenk flask, Cs2CO3 (97.7 mg, 0.3 mmol), 18-crown-6 (52.9 mg, 0.2 mmol), 1 mL of acetonitrile, Aromatic alkyne precursor 2a (74.4 mg, 0.3 mmol) andAzidobenzene 3b (23.8 mg, 0.2 mmol), The reaction was stirred at 30 ° C under a nitrogen atmosphere for 12h.After the reaction, silica gel column chromatography to separate and purify, The eluent was petroleum ether (60-90 ° C) / ethyl acetate = 10: 1 (v / v)The target product 4ab (30 mg, yield 77percent) was obtainedUnder nitrogen, the iodobenzene (20.4g, 0.10mol), Pd (dppf) Cl2.CH2Cl2 (0.8g, 0.001mol) andCuI (3.3 g, 0.0173 mol), isopropylamine (200 ml) was added to tetrahydrofuran (500 ml), sodium benzotriazole (15.5 g, 0.11 mol) was slowly added, and the mixture was warmed to 80 ° C and stirred for 12 hours, TLC The reaction was completed, and a silica gel column (PE/EA = 2/1 to 1/1) was obtained to obtain Compound 1 (17.6 g, yield: 91percent).1 -Phenylbenzotriazole

Computed Properties

Molecular Weight:195.22
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:195.079647300
Monoisotopic Mass:195.079647300
Topological Polar Surface Area:30.7
Heavy Atom Count:15
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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