Tom ntej: Methyl 2,4-dihydroxy-6-methylbenzoate

Tom ntej: Methyl 2,4-dihydroxy-6-methylbenzoate

CAS Nr .: 3187-58-4
Cov mis mos molecular: C9H10O4
Molecular Luj: 182.17
SMILES Code: O=C(OC)C1=C(C)C=C(O)C=C1O

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Tom ntej: Methyl 2,4-dihydroxy-6-methylbenzoate

CAS Nr

3187-58-4

Molecular Formula

C9H10O4

Molecular Luj

182.17

SMILES Code

O=C(OC)C1=C(C)C=C(O)C=C1O

MDL Nr.

TIAB SA 00184668

 

Chemical Properties

 

Qhov sib xyaw no feem ntau yog cais raws li cov dawb mus rau daj ntseg cream crystalline hmoov nrog ib qho tsw ntxhiab phenolic. Nws cov mis molecular yog C9H10O4, sib xws rau qhov hnyav molecular ntawm 182.17. Lub melting point feem ntau ntog nyob rau hauv thaj tsam ntawm 136-140 degree, xav txog lub qhov dej-txhais siv lead ua lattice. Qhov ntsuas qhov ceev yog kwv yees li 1.35 g / cm³ nyob rau hauv ambient tej yam kev mob. Nws pom zoo solubility nyob rau hauv polar organic solvents xws li methanol, ethanol, acetone, thiab ethyl acetate, thaum qhia me ntsis solubility nyob rau hauv dej kub thiab txwv solubility nyob rau hauv dej txias thiab tsis yog -polar solvents xws li hexane. Cov molecule muaj ob pawg phenolic hydroxyl ntawm 2 thiab 4 txoj haujlwm, methyl ester ntawm 1 txoj hauj lwm, thiab ib qho methyl hloov ntawm 6 txoj hauj lwm ntawm lub nplhaib benzene. Cov pab pawg hydroxyl muaj peev xwm ntawm hydrogen bonding thiab hlau chelation, thiab ua rau lub compound tsis muaj zog acidity. Kev khaws cia hauv cov thawv kaw nruj nreem tiv thaiv los ntawm lub teeb thiab noo noo ntawm qhov kub thiab txias (2-8 degree) yog pom zoo kom tiv thaiv oxidative discoloration. Kev sib cuag nrog cov neeg muaj zog oxidizing thiab cov hauv paus muaj zog yuav tsum zam.

 

Kev piav qhia

 

Methyl 2,4-dihydroxy-6-methylbenzoate yog polysubstituted benzoate derivative featuring ib resorcinol-hom hloov qauv ntawm lub nplhaib aromatic. Cov molecule sib txuas cov methyl ester nrog ob phenolic hydroxyl positioned meta rau ib leeg thiab ib qho ntxiv methyl pawg ortho rau ib hydroxyl. Qhov kev npaj no tsim ib lub kaw lus nrog ntau tus neeg pub nyiaj hydrogen thiab cov neeg txais kev pab, ua rau ob qho tib si intramolecular thiab intermolecular hydrogen bonding uas cuam tshuam rau solubility thiab crystal packing. Cov phenolic hydroxyl pom tsis muaj zog acidity thiab tuaj yeem koom nrog hauv kev sib koom tes hlau, thaum lub ester muab ib tug kov rau ntxiv derivatization los ntawm hydrolysis los yog transesterification. Cov pab pawg methyl pab txhawb tus cwj pwm hydrophobic thiab steric cawv. Qhov no compact tab sis multifunctional aromatic scaffold ua hauj lwm pab raws li ib tug tseem ceeb nruab nrab nyob rau hauv tej yam ntuj tso khoom synthesis thiab tshuaj chemistry, qhov twg kev sib xyaw ntawm phenol thiab ester functionalities tso cai rau ntau yam transformations thiab tsim ntawm complex molecular architectures.

 

Siv

 

Pharmaceutical Intermediate
Qhov no dihydroxybenzoate yog ua hauj lwm nyob rau hauv lub synthesis ntawm cov tebchaw nrog antioxidant, tiv thaiv -inflammatory, thiab antimicrobial kev ua ub no. Cov phenolic hydroxyl tuaj yeem ua alkylated lossis acylated los hloov cov khoom lom neeg, thaum pawg ester ua rau amide coupling nrog amine- muaj cov tshuaj pharmacophores. Nws cov derivatives tau raug tshawb xyuas rau lawv lub peev xwm los cuam tshuam cov enzymes koom nrog txoj hauv kev inflammatory thiab oxidative kev nyuaj siab.

 

Tsev Block rau Heterocyclic Synthesis
Kev sib raug zoo ntawm ortho ntawm hydroxyls thiab ester ua rau cov tshuaj tiv thaiv cyclocondensation tsim benzopyranones, coumarins, thiab lwm yam oxygen heterocycles. Cov txheej txheem nplhaib no muaj nyob rau hauv cov khoom ntuj tsim thiab bioactive molecules. Cov pab pawg methyl muab tus tuav rau kev ua haujlwm ntxiv, ua kom nkag mus rau cov tsev qiv ntawv ntawm fused heterocyclic compounds rau kev tshuaj ntsuam tshuaj.

 

Hlau Chelation thiab Coordination Chemistry
Kev npaj 2,4-dihydroxy tsim ib qhov chaw muaj peev xwm bidentate chelation rau cov hlau ions, tshwj xeeb tshaj yog cov uas muaj oxophilicity siab xws li txhuas, hlau, thiab titanium. Cov hlau complexes tau los ntawm qhov scaffold no tau tshawb xyuas rau lawv cov kev ua haujlwm catalytic thiab ua qauv rau cov chaw ua haujlwm metalloenzyme. Cov ester pawg tuaj yeem ua hydrolyzed los txhim kho cov dej solubility lossis muab cov chaw sib koom ua ke ntxiv.

 

Polymer thiab Material Precursor
Multifunctional xwm ntawm cov compound no ua rau nws muaj txiaj ntsig rau kev npaj cov khoom siv polymers thiab cov sib txuas sib txuas. Cov phenolic hydroxyl tuaj yeem koom nrog hauv cov tshuaj tiv thaiv condensation nrog formaldehyde lossis epoxides los ua resole- hom resins nrog txhim kho thermal stability. Pab pawg ester tso cai rau kev koom ua ke rau hauv cov pob txha polyester, muab cov khoom tiv thaiv antioxidant rau cov ntaub ntawv tshwm sim rau kev siv hauv ntim thiab txheej txheej uas oxidative degradation yuav tsum tau txo qis.

 

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