| Identification | More | [Name]
5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole | [CAS]
124750-53-4 | [Synonyms]
5-[4'-METHYL (1,1'-BIPHENYL)-2-YL]-1-TRIPHENYLMETHYL-TETRAZOLE
5-(4'-Methylbiphenyl-2-yl)-1-trityl-1H-tetrazole
n-(triphenylmethyl)-5-(4'-methylbiphenyl-2-yl-)terazole
N-(TRIPHENYLMETHYL)-5-(4'-METHYLBIPHENYL-2-YL)TETRAZOLE
5-(4'-Methyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole
5-[4''-METHYL (1,1''-BIPHENYL)-2-YL]-1-TRIPHENYLMETHYL-TETRAZOLE 98.5+%
N-(Triphenylmethyl)-5-(4'-Methylbiphenyl-2-yl) Tetrazole | [Molecular Formula]
C33H26N4 | [MDL Number]
MFCD00665220 | [Molecular Weight]
478.59 | [MOL File]
124750-53-4.mol |
| Chemical Properties | Back Directory | [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) |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white Solid | [Uses]
5-?(4''-?Methyl-?[1,?1''-?biphenyl]?-?2-?yl)?-?1-?trityl-?1H-?tetrazole is a reactant in the synthesis of anti-microbial agents. | [Uses]
An intermediate in the preparation of labelled Candesartan. | [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 |
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