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2-Methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}

HCID 9917022
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Grundinformationen

CAS
132900-75-5
Standard-SMILES
C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC(=O)C=C)cc3)c(C)c2)cc1
InChIKey
NLGINBDFXRCWQW-UHFFFAOYSA-N
Summenformel
C35H36O10
Durchschnittliche Molmasse
616,7 g/mol
Monoisotopische Masse
616,23084734

Namen und Bezeichner

Bevorzugter Name
2-Methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}
IUPAC
[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
Englischer Name
Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-Methyl-1,4-phenylene ester
Summenformel
C35H36O10
Molmasse
616.65

Namen und Synonyme

DTXSID2010102302-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}2-Methylbenzene-1,4-diyl bis(4-(4-(acryloyloxy)butoxy)benzoate)RefChem:475963DTXCID301436639700-238-1132900-75-52-Methyl-1,4-phenylene bis(4-(4-(acryloyloxy)butoxy)benzoate)Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-methyl-1,4-phenylene ester1,4-DI[4-(4-ACRYLOYLOXYBUTOXY)BENZOYLOXY]-2-METHYLBENZENE[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)benzoateMFCD26143191
Weitere Namen anzeigen
BYLC-22-Methyl-1,4-phenylene ester1,4-Bis(4-(4-acryloyloxybutoxy)benzoyloxy)-2-methylbenzeneBenzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-methyl...2-Methyl-1,4-phenylenediyl di(4-[4-[(1-oxo-2-propenyl)oxy]butoxy]benzoate)4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid 2-methyl-1,4-phenylene esterBenzoicacid,4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]-,1,1'-(2-methyl-1,4-phenylene)ester

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,4
Polarare Oberfläche (TPSA)
124 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
10
Frei drehbare Bindungen
22
Schwere Atome
45
Formalladung
0
Komplexität
948

Experimentelle und physikochemische Eigenschaften

Chemical ClassesLiquid Crystal (LCM) Monomers

Physikochemische Eigenschaften

Siedepunkt
748.5 · 748.5±60.0 °C(Predicted)
Dichte
1.195 · 1.195±0.06 g/cm3(Predicted)
Dampfdruck
0 · 0-0Pa at 20-50℃
storage temp.
2 · 2-8°C, stored under nitrogen
InChIKey
NLGINBDFXRCWQW-UHFFFAOYSA-N
SMILES
C1(OC(=O)C2=CC=C(OCCCCOC(=O)C=C)C=C2)=CC=C(OC(=O)C2=CC=C(OCCCCOC(=O)C=C)C=C2)C=C1C
LogP
5.1 at · 5.1 at 25℃ and pH7

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 3 Einträge

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationREACH registered substance: 2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate} (EC: 700-238-1)
Hazard Classes and CategoriesAquatic Chronic 4 (100%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H413

Chemie und Industrie

Anwendungen

VerwendenBenzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-Methyl-1,4-phenylene ester is used as an intermediate in organic synthesis.

Darstellung · 1 Eintrag

synthetischeThe preparation of Benzoic acid, 4-[4-[(1-oxo-2-propenyl)oxy]butoxy]-, 2-Methyl-1,4-phenylene ester is as follows:2-methylhydroquinone 3.0 g (24.2 mmol), 4-[3-(acryloyloxy)butoxy]benzoic acid 14.7 g (55.6 mmol), 4-dimethylaminopyridine (DMAP) 0.18 g (1.5 mmol) ) And 0.14 g (1.4 mmol) of 35% hydrochloric acid were added to 39 mL of tetrahydrofuran (THF) and stirred, and 7.0 g (55.6 mmol) of N,N-diisopropylcarbodiimide (DIC) was added dropwise to the solution. After completion of dropping, the mixture was stirred at 40° C. for 5 hours to obtain a reaction solution. The reaction solution was filtered to remove insoluble matter. A part of the solvent of the filtrate from which the insoluble matter was removed was distilled off to obtain 15 mL of a solution. 60 mL of methanol was added dropwise to 15 mL of the obtained solution to crystallize the polymerizable liquid crystal compound, and then the mixture was stirred under cooling. The obtained precipitate (crystal) is collected by filtration, and the collected precipitate (crystal) is dried to give 2-methyl-1,4-phenylene=bis{4-[3-(acryloyloxy)butoxy]. Benzoate} was obtained with a yield of 94% (14.0 g, 22.8 mmol). The purity of the obtained 2-methyl-1,4-phenylene=bis{4-[3-(acryloyloxy)butoxy]benzoate} was 97.8%. In addition, the content of N,N-diisopropylurea as a by-product contained in the finally obtained 2-methyl-1,4-phenylene bis{4-[3-(acryloyloxy)butoxy]benzoate} , 0.01% by mass relative to the yield, which was sufficiently reduced.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2-Methylhydrochinon

Anbieter40 Anbieter

南京予善化工有限公司025-025-85281586 +86-18105181009 · [email protected]

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Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
1,1'-(2-Methyl-1,4-phenylene) bis[4-[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]benzoate]2-Methyl-1,4-phenylene Bis[4-[4-(acryloyloxy)butoxy]benzoate]bAcrBuOBzoMePNLGINBDFXRCWQW-UHFFFAOYSA-NEC 700-238-1SCHEMBL102915SCHEMBL29809767C35H36O10

Datenbank-Bezeichner

CAS
132900-75-5
PubChem CID
9917022
DTXSID
DTXSID201010230
EC Number
700-238-1
Nikkaji
J1.259.612J
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