Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate

HCID 57345855

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Basic information

CAS: 805250-17-3
Standard SMILES: COC(=O)CC1COc2cc(O)ccc21
InChIKey: RHMDISFJOKCCAQ-UHFFFAOYSA-N
Molecular formula: C11H12O4
Average molar mass: 208.21 g/mol
Monoisotopic mass: 208.07355886

Names & identifiers

Preferred name: Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
IUPAC: methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
English name: (6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester
Molecular formula: C11H12O4
Molecular weight: 208.21

Names & synonyms

805250-17-3Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetatemethyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetateMFCD197038793-Benzofuranaceticacid,2,3-dihydro-6-hydroxy-,Methylester(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl EsterSR03298Amethyl (6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetateMethyl 2-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]acetateRHMDISFJOKCCAQ-UHFFFAOYSA-Norb180899SCHEMBL435248

Show more names

CS-1044SR-03298ASR 03298AMethyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)Methyl 2,3-dihydro-6-hydroxy-3-benzofuranacetateMethyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate-Benzofuranaceticacid,2,3-dihydro-6-hydroxy-,MethylesterMethyl 2-(5-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

Methyl2-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetate2,3-Dihydro-6-hydroxy-3-benzofuranacetic acid methyl esterDTXSID90720987ALBB-032914CS-M1216AKOS015919522DS-1595SB17662

Database identifiers

CAS: 805250-17-3
PubChem CID: 57345855
DTXSID: DTXSID90720987

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 241

Physicochemical properties

Melting point: 86 · 86-88 °C
Boiling point: 326.5 · 326.5±42.0℃ (760 Torr)
Density: 1.257 · 1.257±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 126.9 · 126.9±21.4℃
storage temp.: Sealed in dry,Room Temperature
pka: 9.77 · 9.77±0.40(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS02
Hazard statements: H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235

Chemistry & industry

Applications · 1 item

Uses(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester was used in the synthetic preparation of TAK-875 (T004915), a novel oral medication that has been developed to improve the secretion of insulin in a glucose-dependent manner, which has the potential to improve the control of blood sugar levels without the risk of hypoglycemia.