ChemicalBook--->CAS DataBase List--->1000414-38-9

1000414-38-9

1000414-38-9 Structure

1000414-38-9 Structure
IdentificationBack Directory
[Name]

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
[CAS]

1000414-38-9
[Synonyms]

(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate
S)-Methyl 2-(hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate,99%e.e.
methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate
(3S)-2,3-Dihydro-6-hydroxy-3-benzofuranacetic acid methyl ester
(S) 3- Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, Methyl ester
(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
[Molecular Formula]

C11H12O4
[MDL Number]

MFCD20488619
[MOL File]

1000414-38-9.mol
[Molecular Weight]

208.211
Chemical PropertiesBack Directory
[Boiling point ]

326.5±42.0 °C(Predicted)
[density ]

1.257±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

9.77±0.40(Predicted)
[InChI]

InChI=1S/C11H12O4/c1-14-11(13)4-7-6-15-10-5-8(12)2-3-9(7)10/h2-3,5,7,12H,4,6H2,1H3/t7-/m1/s1
[InChIKey]

RHMDISFJOKCCAQ-SSDOTTSWSA-N
[SMILES]

O1C2=CC(O)=CC=C2[C@H](CC(OC)=O)C1
Hazard InformationBack Directory
[Uses]

(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester is the (S)-Isomer of (6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester (H947905), an synthetic intermediate of TAK-875 ( T004915), a novel oral medication that has been developed to improve the secretion of insulin in a glucose-dependent manner.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate(1000414-38-9)1HNMR
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