62442-51-7

Basic information

• Product Name: 1-(4-METHOXYPHENYL)-1H-TETRAAZOL-5-OL
• Synonyms: 1-(4-METHOXYPHENYL)-1H-TETRAAZOL-5-OL
• CAS NO: 62442-51-7
• Molecular Formula: C₈H₈N₄O₂
• Molecular Weight: 192.17
• Mol File: 62442-51-7.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-(4-METHOXYPHENYL)-1H-TETRAAZOL-5-OL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-METHOXYPHENYL)-1H-TETRAAZOL-5-OL(62442-51-7)
• EPA Substance Registry System: 1-(4-METHOXYPHENYL)-1H-TETRAAZOL-5-OL(62442-51-7)

Safety Data

• Hazardous Substances Data: 62442-51-7(Hazardous Substances Data)

Upstream product

• 5416-93-3 4-Methoxyphenyl isocyanate 

Downstream Products

• 1415645-98-5 methyl (E)-3-(4-methoxyphenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylate 
• 1415645-96-3 methyl (E)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)-3-(4-nitrophenyl)acrylate 
• 1415645-93-0 ethyl (E)-3-(4-chlorophenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylate 
• 1415645-92-9 methyl (E)-3-(4-chlorophenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylate 
• 1415645-91-8 methyl (E)-3-(4-fluorophenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylate 
• 1415645-88-3 (Z)-3-(3,4-dimethoxyphenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylonitrile 
• 1415645-86-1 (Z)-3-(4-methoxyphenyl)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)acrylonitrile 
• 1415645-84-9 (Z)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)-3-p-tolylacrylonitrile 
• 1415645-80-5 (Z)-2-((4-(4-methoxyphenyl)-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)methyl)-3-phenylacrylonitrile 
• 229643-01-0 1-(4-methoxyphenyl)-4-methyl-1H-tetrazol-5(4H)-one 

Relevant articles and documents

TETRAZOLONE SUBSTITUTED STEROIDS AND USE THEREOF

The present disclosure relates to compounds of formula (AI), (I), (AII), and (II), or a pharmaceutically acceptable salt, solvate, stereoisomer, or tautomer thereof, a pharmaceutical composition comprising a compound of formula (AI), (I), (AII), and (II), and use thereof, wherein R2, R3, R4, R5, R6, R7, R10, R11a, R11b, R12, R16, R19a, R19b, and R20 are described herein. Such compounds are envisioned useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, movement disorders, convulsive disorders, schizophrenin spectrum disorders, disorders of memory and/or cognition, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, or tinnitus etc.

Electronic properties of 1-methyl-4-phenyl-1H-tetrazole-5(4H)-thiones: An experimental and theoretical study

The syntheses of 1-(4-methoxyphenyl)-4-methyl-1H-tetrazol-5(4H)-thione 1a, 1-methyl-4-phenyl-1H-tetrazole-5(4H)-thione 1b, 1-(4-chlorophenyl)-4-methyl-1H-tetrazol-5(4H)-thione 1c, 1-methyl-4-(4-nitrophenyl)-1H-tetrazol-5(4H)-thione 1d were carried out and their electronic absorption spectra were obtained in cyclohexane, THF, and acetonitrile. The UV spectra of 1a-d showed a modest dependence on the polarity of the solvent. The change of substituent on the tetrazolethione ring from a strongly electron donating group (p-C6H4OMe, 1a), to a moderately electron donating (C6H5, 1b) to a weakly electron withdrawing group (p-C6H4Cl, 1c) also produced minimal effect on the electronic properties of 1a-c. However, the presence of a strongly electron withdrawing group (p-C6H4NO2, 1d) on the heterocyclic ring produced a marked change in the UV spectrum. Time-dependent density functional calculations revealed that all the bands result from π → π* excitations with some degree of intramolecular charge transfer (ICT) within the molecules. Our studies further showed that as the acceptor strength is increased in the order: 1a (p-C6H4OMe) 6H5) 6H4Cl) 6H4NO2), the ICT also increases. In accordance with the experimental observations, the calculated transitions also showed modest dependence on the polarity of the solvent.

Process for the preparation of 1-substituted-5(4H)-tetrazolinones

A process for the preparation of a 1-substituted-5(4H)-tetrazolinone of the formula STR1 wherein R1 is defined in the specification n is 0, 1, 2, 3 or 4, which comprises reacting a 1-substituted-5(4H)-tetrazolinethione of the formula STR2 with an ethylene oxide of the formula STR3 wherein R2 represents hydrogen, methyl or ethyl, in the presence of a base and in the presence of water, an alcohol or a mixture thereof.