Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylat

Dimethyl 4,4'-biphenyldicarboxylate

HCID 13099CAS 792-74-5

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Grundinformationen

Standard-SMILES: COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIKey: BKRIRZXWWALTPU-UHFFFAOYSA-N
Summenformel: C16H14O4
Durchschnittliche Molmasse: 270,28 g/mol
Monoisotopische Masse: 270,08920893

Überblick

Nissel has been investigated for the treatment of Chronic Liver Disease.

Namen und Bezeichner

Bevorzugter Name: Dimethyl 4,4'-biphenyldicarboxylate
IUPAC: methyl 4-(4-methoxycarbonylphenyl)benzoate
Lokaler Name: Dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylat
Englischer Name: Biphenyl dimethyl dicarboxylate
Summenformel: C16H14O4
Molmasse: 270.28

Namen und Synonyme

792-74-5dimethyl [1,1'-biphenyl]-4,4'-dicarboxylateBiphenyl dimethyl dicarboxylateDIMETHYL 4,4'-BIPHENYLDICARBOXYLATENissel4,4'-Biphenyldicarboxylic acid, dimethyl ester4,4'-Bis(methoxycarbonyl)biphenylK61BXA0U9CHSDB 5754Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylateEINECS 212-341-44,4'-dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate

Weitere Namen anzeigen

B.D.D.v025-46DPDCA-MERARECHEM AL BF 1412TIMTEC-BB SBB005981Biphenyl 4,4-dimethyDIMETHYL 4,4'-DIBENZOATE4,4-Dicarboxymethylbiphenyl

(1,1'-Biphenyl)-4,4'-dicarboxylic acid, 4,4'-dimethyl esterDIMETHYL 4,4'-BIPHENYLDICARBOXYLATE [WHO-DD]4,4'-Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl esterRefChem:5881864,4'Biphenyldicarboxylic acid, dimethyl ester(1,1'Biphenyl)4,4'dicarboxylic acid, dimethyl esterDimethyl biphenyl-4,4'-dicarboxylate

Datenbank-Bezeichner

CAS: 792-74-5
PubChem CID: 13099
DTXSID: DTXSID2061143
ChEMBL: CHEMBL4297409
UNII: K61BXA0U9C
EC Number: 212-341-4
Nikkaji: J56.222J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 20
Formalladung: 0
Komplexität: 302

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical diffusion

Physical DescriptionFine faintly red crystals; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 213 · 213-215 °C (lit.)
Siedepunkt: 373.4 °C · 373.4°C (rough estimate)
Dichte: 1.2117 · 1.2117 (rough estimate)
Brechungsindex: 1.5447 · 1.5447 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Benzene (Slightly, Heated, Sonicated), Chloroform (Slightly, Heated, Sonicated)
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: Insoluble in water.
BRN: 2055852 · 2055852
InChI: 1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3
InChIKey: BKRIRZXWWALTPU-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)-c2ccc(cc2)C(=O)OC
CAS Datenbank: 792 · 792-74-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester(792-74-5)
EPA chemische Informationen: 1 · [1,1'-Biphenyl]-4,4'-dicarboxylic acid, dimethyl ester (792-74-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [MSDSonline] See Biphenyl.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxikologische Informationen

Non-Human Toxicity ExcerptsDimethyl biphenyldicarboxylate provides protective action against CCl4 induced liver lesions in mice and decreases liver glutamate pyruvate transaminase levels.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29173990
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 792-74-5(Hazardous Substances Data)

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used to make insect growth regulators; [HSDB]

USED IN PREPN OF INSECT GROWTH REGULATORS

General Manufacturing Information[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 4,4'-dimethyl ester: INACTIVE

Anwendungen · 1 Eintrag

VerwendenDimethyl biphenyl-4,4'-dicarboxylate is used as a hepatoprotectant in the treatment of chronic hepatitis. At 250 μg/ml, it has been shown to stimulate JAK/STAT signaling and to induce the expression of interferon-α stimulated genes in a HepG2 cell line. It has been used to study hepatic fibrosis and chronic hepatocellular damage. It appears to normalize alanine aminotransferase (ALT) in cases where levels of ALT are elevated. It may be employed as starting reagent for the synthesis of dimethyl 2-fluoro-and 2,2-difluorobiphenyl-4,4-dicarboxylates.