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54705-91-8 Usage

Uses

2-(1H-Pyrazol-1-yl)aniline is used in the preparation of benzenesulfonamide derivatives and analogs as ATP citrate lyase inhibitors.

Check Digit Verification of cas no

The CAS Registry Mumber 54705-91-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,4,7,0 and 5 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 54705-91:
(7*5)+(6*4)+(5*7)+(4*0)+(3*5)+(2*9)+(1*1)=128
128 % 10 = 8
So 54705-91-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H9N3/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H,10H2

54705-91-8 Well-known Company Product Price

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  • Aldrich

  • (753300)  1-(2-Aminophenyl)-1H-pyrazole  97%

  • 54705-91-8

  • 753300-1G

  • 1,005.03CNY

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54705-91-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-pyrazol-1-ylaniline

1.2 Other means of identification

Product number -
Other names aminophenylpyrazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:54705-91-8 SDS

54705-91-8Downstream Products

54705-91-8Relevant articles and documents

BORAZANs: Tunable fluorophores based on 2-(pyrazolyl)aniline chelates of diphenylboron

Liddle, Brendan J.,Silva, Rosalice M.,Morin, Tyler J.,Macedo, Felipe P.,Shukla, Ruchi,Lindeman, Sergey V.,Gardinier, James R.

, p. 5637 - 5646 (2007)

(Figure Presented) The reaction between 2-pyrazolyl-4-X-anilines, H(pzAnX), (X = para-OMe (L1), Me (L2), H (L3), Cl (L4), CO 2Et (L5), CF3 (L6), CN (L7)) and triphenylboron in boiling toluene affords the respective, highly emissive N,N′-boron chelate complexes, BPh2(pzAnX) (X = para-OMe (1), Me (2), H (3), Cl (4), CO2Et (5), CF3 (6), CN (7)) in high yield. The structural, electrochemical, and photophysical properties of the new boron complexes can be fine-tuned by varying the electron-withdrawing or -donating power of the para-aniline substituent (delineated by the substituent's Hammett parameter). Those complexes with electron-withdrawing para-aniline substituents such as CO2Et (5), CF3 (6), and CN (7) have more planar chelate rings, more 'quinoidal' disortion in the aniline rings, greater chemical stability, higher oxidation potentials, and more intense (φF = 0.81 for 7 in toluene), higher-energy (blue) fluorescent emission compared to those with electron-donating substituents. Thus, for 1 the oxidation potential is 0.53 V versus Ag/AgCl (compared to 1.12 V for 7), and the emission is tuned to the yellow-green but at an expense in terms of lower quantum yields (φF = 0.07 for 1 in toluene) and increased chemical reactivity. Density functional calculations (B3LYP/6-31G*) on PM3 energy-minimized structures of the ligands and boron complexes reproduced experimentally observed data and trends and provided further insight into the nature of the electronic transitions.

L -(-) -Quebrachitol as a Ligand for Selective Copper(0)-Catalyzed N-Arylation of Nitrogen-Containing Heterocycles

Zhou, Qifan,Du, Fangyu,Chen, Yuanguang,Fu, Yang,Sun, Wenjiao,Wu, Ying,Chen, Guoliang

, p. 8160 - 8167 (2019/06/28)

l-(-)-Quebrachitol (QCT) has been found as a ligand of copper powder for selective N-arylation of nitrogen-containing heterocycles with aryl halides. Furthermore, another potential catalytic system (copper powder/QCT/t-BuOK) was successfully adapted to unactivated aryl chlorides.

Copper(II)-Mediated ortho-Selective C(sp2)-H Tandem Alkynylation/Annulation and ortho-Hydroxylation of Anilides with 2-Aminophenyl-1H-pyrazole as a Directing Group

Lee, Wan-Chen Cindy,Wang, Wei,Li, Jie Jack

, p. 2382 - 2388 (2018/02/23)

2-Aminophenyl-1H-pyrazole has been identified as a viable directing group to promote copper(II)-mediated ortho-selective sp2 C-H bond tandem alkynylation/annulation of anilides with terminal alkynes to offer arylmethylene isoindolinones. Meanwhile, copper(II)-mediated ortho-selective sp2 C-H hydroxylation of anilides has also been optimized as the major reaction pathway by using Cu(OAc)2 as the promoter and 1,1,3,3-tetramethylguanidine as an organic base. Recovery of the directing group was achieved by hydrazinolysis for arylmethylene isoindolinones and basic hydrolysis for the hydroxylation products.

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