ChemicalBook--->CAS DataBase List--->62572-90-1

62572-90-1

62572-90-1 Structure

62572-90-1 Structure
IdentificationBack Directory
[Name]

3-[4-(2-Methoxyethyl)phenoxy]-
[CAS]

62572-90-1
[Synonyms]

Metoprolol-4
Desloratadine EP Impurity
Metoprolol tartrate impurity D
3-[4-(2-Methoxyethyl)phenoxy]-
Metoprolol Impurity-D(70% pure)
Metoprolol Succinate Impurity D
Metoprolol tartrate EP impurity D
Metoprolol EP Tartrate IMpurity-D
Metoprolol Succinate EP Impurity D
(2RS)-3-[4-(2-Methoxyethyl)phenoxy]
3-[4-(2-Methoxyethyl)phenoxy]-1,2-propanediol
Metoprolol Impurity 4(Metoprolol EP Impurity D)
1,2-Propanediol, 3-[4-(2-methoxyethyl)phenoxy]-
(2RS)-3-[4-(2-Methoxyethyl)phenoxy]propane-1,2-diol
Imp. D (EP):(2RS)-3-[4-(2-Methoxyethyl)phenoxy]propane-1,2-diol
Metoprolol impurity 3/Metoprolol EP Impurity D/3-[4-(2-Methoxyethyl)phenoxy]-1,2-propanediol
[Molecular Formula]

C12H18O4
[MDL Number]

MFCD18382386
[MOL File]

62572-90-1.mol
[Molecular Weight]

226.269
Questions And AnswerBack Directory
[Synthesis]

g of compound III (0.032 mol), 130 mL of 1N dilute hydrochloric acid (0.13 mol), and 9 g of sodium nitrite (0.13 mol) were added to a 250 mL round-bottom flask. The mixture was stirred at 60 °C for 3 h. The reaction progress was monitored by TLC (electrolyte:ethyl acetate:methanol:triethylamine = 3:1:2 drops). The reaction was stopped when the reaction was complete. 7 g of sodium bicarbonate was added to the reaction mixture while stirring. A large number of bubbles were generated. The mixture was extracted with 100 mL × 2 ethyl acetate. The combined organic phases were washed with 100 mL × 2 saturated brine and dried over 14 g of anhydrous sodium sulfate. The mixture was rotary evaporated to obtain 7 g of an orange-yellow oily liquid, which was eluted with petroleum ether:ethyl acetate = 1:1. 5.2 g of white solid was obtained, with a yield of 68.27%. Synthesis of 62572-90-1
Chemical PropertiesBack Directory
[Boiling point ]

382.7±32.0 °C(Predicted)
[density ]

1.145±0.06 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

13.53±0.20(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical small molecule
[InChI]

1S/C12H18O4/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,13-14H,6-9H2,1H3
[InChIKey]

MELFVOGWPJFQBB-UHFFFAOYSA-N
[SMILES]

OCC(O)COC1=CC=C(CCOC)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335-H303
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

White Low Melting Solid
[Uses]

A new byproduct detected in Metoprolol tartrate. Metoprolol (M338790)
[Uses]

Labelled Metoprolol (M338790)
[Synthesis Reference(s)]

Synthetic Communications, 20, p. 3489, 1990 DOI: 10.1080/00397919008051592
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