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| | 5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole Basic information |
| | 5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole Chemical Properties |
| Melting point | 166-169 °C(Solv: ethyl acetate (141-78-6); dichloromethane (75-09-2)) | | Boiling point | 681.6±65.0 °C(Predicted) | | density | 1.13±0.1 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | Chloroform (Slightly) | | form | Solid | | pka | 0.30±0.10(Predicted) | | color | Off-White | | InChI | InChI=1S/C33H26N4/c1-25-21-23-26(24-22-25)30-19-11-12-20-31(30)32-34-35-36-37(32)33(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3 | | InChIKey | ZSBYTGRKIKIRRJ-UHFFFAOYSA-N | | SMILES | N1(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(C2=CC=CC=C2C2=CC=C(C)C=C2)=NN=N1 | | CAS DataBase Reference | 124750-53-4(CAS DataBase Reference) |
| | 5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole Usage And Synthesis |
| Chemical Properties | Off-white Solid | | Uses | An intermediate in the preparation of labelled Candesartan. | | Uses | 5-(4''-Methyl-[1,1''-biphenyl]-2-yl)-1-trityl-1H-tetrazole is a reactant in the synthesis of anti-microbial agents. | | Synthesis | 5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole is prepared by the reaction of trityl chloride and 2-(tetrazol-5-yl)-4'-methyl-1,1'-biphenyl. The specific synthesis steps are as follows:
Dissolve compound 2 (200 g) with stirring at 40°C 700mL of acetone, Aqueous sodium hydroxide solution (40.67 g sodium hydroxide dissolved in 160 mL water) is added, Continue stirring for 1h, A solution of triphenylchloromethane in acetone (270.8 g of triphenylmethyl chloride dissolved in 800 mL of acetone) was initially added dropwise. The solid was added dropwise and gradually evolved into a white turbid liquid. The reaction was monitored by TLC until it was completely filtered off and washed with water to give a solid as intermediate 3. The solid was blow dried at 50°C to give white intermediate 3 (385 g), yield: 95.2%, HPLC: 99.44%.
 | | References | [1] Patent: WO2013/78237, 2013, A1. Location in patent: Page/Page column 111; 112
[2] Patent: CN107935957, 2018, A. Location in patent: Paragraph 0020; 0040-0042
[3] Synthetic Communications, 2008, vol. 38, # 20, p. 3577 - 3581
[4] Journal of Chemical Sciences, 2011, vol. 123, # 4, p. 393 - 401
[5] Archiv der Pharmazie, 2016, vol. 349, # 12, p. 934 - 943 |
| | 5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole Preparation Products And Raw materials |
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