1
Supporting Information
Triazole-Diindolylmethane Conjugates as New Antitubercular Agents: Synthesis,
Bioevaluation and Molecular Docking
Ashruba B. Danne
a
, Amit S. Choudhari
b
, Shakti Chakraborty
b
, Dhiman Sarkar
b
, Vijay M.
Khedkar
c
, Bapurao B. Shingate*
a
a
Department of Chemistry, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad 431
004, India
b
Combi-Chem Bio-Resource Center, Organic Chemistry Division, CSIR-National Chemical
Laboratory, Pune 411 008, India
c
Department of Pharmaceutical Chemistry, Shri Vile Parle Kelavani Mandal's Institute of
Pharmacy, Dhule, Maharashtra 424 001, India.
E-mail:* bapushingate@gmail.com (B. B. Shingate)
*Corresponding author. Tel.: (91)-240-2403312; Fax: (91)-240-2403113
Sr. No. Content Page No.
1 Experimental section 1-2
2 Table S1 and S2 3-4
3 Molecular docking study 5-9
4 The IR,
1
H NMR,
13
C NMR, DEPT NMR and Mass spectra’s 10-52
Experimental section
4.1.1. General Procedure for the Preparation of compounds (2a-j)
In a round-bottom flask equipped with a magnetic stirring bar, substituted aniline 1a-j (8 mmol)
was dissolved in stirred solution of 5N HCl (10 mL) in an ice bath. Then NaNO2 (12 mmol in 25
mL of H2O) was added dropwise. The mixture was stirred for 20-30 min. Sodium azide (16
mmol) dissolved in 25 mL water was added dropwise. Then, the system was stirred for another
2-4 h at rt. The mixture was extracted with ethyl acetate and the organic phase was washed with
H2O, dried over anhydrous Na2SO4, filtered and concentrated in vacuo. The residual crude
product was used directly without purification.
Electronic Supplementary Material (ESI) for MedChemComm.
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