Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

HCID 853166CAS 52373-72-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)[C@H]1COC(C)(C)O1
InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N
Summenformel: C7H12O4
Durchschnittliche Molmasse: 160,17 g/mol
Monoisotopische Masse: 160,07355886

Namen und Bezeichner

Bevorzugter Name: Methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
IUPAC: methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
Englischer Name: (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic acid methyl ester
Summenformel: C7H12O4
Molmasse: 160.17

Namen und Synonyme

52373-72-5methyl (4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylateDTXSID003574051,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (4R)-RefChem:812360DTXCID70308464610-831-6Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate(R)-methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylate(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl EsterMFCD00066527(+)-2,3-O-Isopropylidene-D-glyceric Acid Methyl Ester

Weitere Namen anzeigen

methyl 2,2-dimethyl-1,3-dioxolane-4-carboxylateD674173-METHOXY-5,5,8,8-...(R)-METHYL-O-ISOPROPYLIDENE GLYCERATEMethyl α,β-isopropylidene-D-glycerateMETHYL 2,3-O-ISOPROPYLIDENE-D-GLYCERATEMETHYL ALPHA, BETA-ISOPROPYLIDENE-D-GLYCERATE(R)-(+)-2,2-Dimethyl-1,3-dioxolan-4-carboxylate

(+)-Methyl 2,3-O-Isopropylidene-D-glycerateD2562Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate, 98%(R)-(+)-2,2-dimethyl-1,3-dioxolan-4-carboxylic acid methyl esterMethyl (R)-2,2-dimethyl-1,3-dioxolane-4-carboxylateAMY31947Methyl(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylateSCHEMBL877770

Datenbank-Bezeichner

CAS: 52373-72-5
PubChem CID: 853166
DTXSID: DTXSID00357405
EC Number: 610-831-6
Nikkaji: J590.998H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 44,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 70 · 70-75 °C/10 mmHg (lit.)
Dichte: 1.106 g/mL · 1.106 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.426
Flammpunkt: 173 °F · 173 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Yellow
BRN: 4292353 · 4292353
InChI: InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey: DOWWCCDWPKGNGX-RXMQYKEDSA-N
SMILES: O1C[C@H](C(OC)=O)OC1(C)C
CAS Datenbank: 52373 · 52373-72-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Sicherheitsdaten

F: 10-23
wgk: 3
hs_code: 29329990
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen

Verwenden(R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxylic Acid Methyl Ester is a dioxolane derivative used in the preparation of matrix metalloproteinases (MMP) inhibitors.