|
Khoom npe |
5-(4-Chlorophenyl)-1H-tetrazole |
|
CAS Nr |
16687-61-9 |
|
Molecular Formula |
C7H5ClN4 |
|
Molecular Luj |
180.59 |
|
SMILES Code |
ClC1=CC=C(C2=NN=NN2)C=C1 |
|
MDL Nr. |
PAB 00040952 |
Chemical Properties
Qhov sib xyaw no feem ntau tau txais los ua cov hmoov dawb mus rau daj daj crystalline hmoov. Nws cov mis molecular yog C7H5ClN4, sib xws rau qhov hnyav molecular ntawm 180.59. Lub melting point feem ntau tshaj 245 degree, feem ntau nrog decomposition pom raws li cua sov saum toj no ntau yam. Nws yog soluble nyob rau hauv polar aprotic kuab tshuaj xws li dimethyl sulfoxide thiab dimethylformamide, me ntsis soluble nyob rau hauv methanol thiab ethanol, thiab xyaum insoluble nyob rau hauv dej thiab tsis polar solvents xws li dichloromethane thiab hexane. Cov molecule nta ib lub nplhaib tetrazole ncaj qha mus rau 4-chlorophenyl pawg. Lub tetrazole moiety yog acidic thiab tuaj yeem muaj nyob rau hauv ob daim ntawv tautomeric, ua rau nws koom nrog hydrogen bonding thiab ntsev tsim. Nws yuav tsum tau muab cia rau hauv lub thawv kaw nruj nreem tiv thaiv los ntawm lub teeb thiab noo noo nyob rau hauv txias, qhuav tej yam kev mob. Kev sib cuag nrog cov neeg muaj zog oxidizing thiab cov hauv paus muaj zog yuav tsum zam.
Kev piav qhia
5-(4-Chlorophenyl)-1H-tetrazole yog 5-hloov tetrazole derivative nyob rau hauv uas lub nplhaib 4-chlorophenyl txuas nrog cov pa roj carbon ntawm lub nplhaib tetrazole. Lub tetrazole core yog tsib-tus neeg muaj ntxhiab heterocycle uas muaj plaub nitrogen atoms, uas muaj cov ntsiab lus nitrogen siab thiab acidity tseem ceeb piv rau carboxylic acids. Qhov acidity no tso cai rau lub nplhaib tetrazole los ua ib qho bioisostere rau pawg carboxylic acid hauv tshuaj chemistry, feem ntau txhim kho metabolic stability, lipophilicity, thiab daim nyias nyias permeability thaum tswj hydrogen-bonding kev sib cuam tshuam nrog cov hom phiaj lom neeg. 4-chlorophenyl substituent qhia txog electron rho tawm cov cim thiab hydrophobic bulk, uas tuaj yeem hloov kho ob qho tib si acidity ntawm tetrazole thiab tag nrho physicochemical zog ntawm lub molecule. Qhov kev sib xyaw ua ke ntawm bioisosteric heterocycle thiab lub nplhaib halogenated aromatic ua rau qhov sib xyaw ua ke muaj txiaj ntsig zoo hauv kev tshawb fawb tshuaj, kev sib koom tes chemistry, thiab cov ntaub ntawv tshawb fawb.
Siv
Pharmaceutical Intermediate
Qhov no tetrazole derivative yog dav siv nyob rau hauv lub synthesis ntawm angiotensin II receptor antagonists, tshwj xeeb tshaj yog losartan thiab lwm yam sartans siv nyob rau hauv kev kho mob ntawm kub siab. Lub nplhaib tetrazole yog ib qho tseem ceeb pharmacophore, ua raws li pawg carboxylate ntawm endogenous peptide thaum muab kev txhim kho metabolic stability. 4- pawg chlorophenyl pab txhawb rau lipophilicity thiab receptor binding affinity. Nws versatility kuj txuas mus rau txoj kev loj hlob ntawm lwm yam tshuaj, nrog rau cov tshuaj tua kab mob thiab tshuaj tiv thaiv kab mob.
Bioisostere hauv Drug Design
Raws li carboxylic acid bioisostere, 5-(4-chlorophenyl)-1H-tetrazole yog siv los hloov cov pawg carboxyl hauv kev ua kom zoo tshaj plaws los txhim kho cov tshuaj pharmacokinetic. tetrazole moiety khaws lub peev xwm los koom nrog ionic thiab hydrogen-bonding kev sib cuam tshuam nrog lub hom phiaj enzymes lossis receptors thaum muab kev tiv thaiv zoo rau metabolic conjugation thiab txhim kho daim nyias nyias permeability. Cov tswv yim no tau ua tiav hauv kev tsim cov tshuaj rau cov hlab plawv, metabolic, thiab kis kab mob.
Ligand hauv Coordination Chemistry
Lub nplhaib tetrazole tuaj yeem koom tes rau cov hlau ions los ntawm nws cov nitrogen atoms, tsim cov complexes nrog ntau hom geometries. Cov 4-chlorophenyl hloov pauv cuam tshuam rau hauv ib puag ncig hluav taws xob nyob ib ncig ntawm lub chaw hlau. Cov hlau complexes ntawm no ligand raug soj ntsuam rau lawv cov catalytic kev ua si, magnetic zog, thiab muaj peev xwm raws li ib tug muaj zog cov ntaub ntawv vim lub siab nitrogen cov ntsiab lus ntawm lub nplhaib tetrazole.
Intermediate rau cov khoom siv zog
Nitrogen-nplua nuj heterocycles zoo li tetrazoles yog cov khoom tseem ceeb hauv kev tsim cov khoom siv hluav taws xob siab, suav nrog cov khoom siv hluav taws xob, cov khoom tawg, thiab cov pyrotechnics. Lub thermal stability thiab siab kub ntawm kev tsim ntawm no compound ua rau nws ib tug neeg sib tw rau kev tsim insensitive energetic formulations. Nws pab pawg chlorophenyl tuaj yeem hloov kho qhov ua tau zoo ntawm cov khoom siv.
Cim npe nrov: 5-(4-}chlorophenyl)-1h-tetrazole, Tuam Tshoj 5-(4-chlorophenyl)-1h-tetrazole manufacturers, lwm tus neeg








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