ChemicalBook--->CAS DataBase List--->1421312-34-6

1421312-34-6

1421312-34-6 Structure

1421312-34-6 Structure
IdentificationBack Directory
[Name]

fg-4592 int 2
[CAS]

1421312-34-6
[Synonyms]

Fg6347
ROXA-019
fg-4592 int 2
Fg-4592/FG4592 int 2
Roxadustat Impurity 34
Methyl 4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylate
methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester
4-Hydroxy-1-methyl-7-phenoxy-methyl ester-3-isoquinolinecarboxylic Acid
1 - methyl - 4 - hydroxy - 7 - phenoxy isoquinoline - 3 - methyl formate
3-Isoquinolinecarboxylic acid, 4-hydroxy-1-methyl-7-phenoxy-, methyl ester
methyl 4-hydroxy-1-methyl-7-pheno1-(2,6-difluorobenzyl)-1H-1,2,3-triazole-4-carboxylic acid xyisoquinoline-3-carboxylate
[Molecular Formula]

C18H15NO4
[MDL Number]

MFCD30489347
[MOL File]

1421312-34-6.mol
[Molecular Weight]

309.32
Chemical PropertiesBack Directory
[Boiling point ]

537.3±45.0 °C(Predicted)
[density ]

1.289±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere, 2-8°C
[pka]

6.24±0.50(Predicted)
[InChI]

InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3
[InChIKey]

WJGPMRFWBJZJOQ-UHFFFAOYSA-N
[SMILES]

C1(C)C2=C(C=CC(OC3=CC=CC=C3)=C2)C(O)=C(C(OC)=O)N=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319-H302-H315-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Hazard InformationBack Directory
[Uses]

4-Hydroxy-1-methyl-7-phenoxy-methyl ester-3-isoquinolinecarboxylic Acid is used as a reagent in the preparation of Roxadustat (H948180), which is a drug used to treat anemia and chronic renal insufficiency.
[Preparation]

Add 25 g of glacial acetic acid solution containing methyl 1-((dimethylamino)methyl)-4-hydroxy-7-phenoxyisoquinolyl-3-carboxylate into a 1 L four-necked flask which contain 13 g Zinc powder. Then in a stirring state, add 7.5g of 5% dilute hydrochloric acid and raise the temperature to 50-60 ℃. When the raw materials in the liquid phase have basically reacted, reduce the temperature. Filter reaction solution.  Rotary evaporated the filtrate obtain 4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester (purity: 96.9%, yield: 87.7%).
Spectrum DetailBack Directory
[Spectrum Detail]

4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinecarboxylic acid methyl ester(1421312-34-6)1HNMR
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