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

Basic Information

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CAS Number

1000414-38-9

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

326.5±42.0 ºC (760 Torr),

Flash Point

126.9±21.4 ºC,

SMILES

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COC(=O)CC1COC2=C1C=CC(=C2)O

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

LogP

1.4312999999999998

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

241

Synonyms & References

English

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester
(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate
S)-Methyl 2-(hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
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
SR03298A
methyl [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate
methyl[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate
methyl((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
RHMDISFJOKCCAQ-SSDOTTSWSA-N
3-Benzofuranaceticacid,2,3-dihydro-6-hydroxy-,Methylester
MFCD20488619
SCHEMBL9275740
AMY35312
(S)-(6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester
AS-39248
DTXSID00693855
methyl(3S)-(2,3-dihydro-6-hydroxy-1-benzofuran-3-yl)acetate
1000414-38-9
3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-
A851646
Methyl 2-[(3S)-6-hydroxy-2,3-dihydrobenzofuran-3-yl]acetate
(S)-Methyl2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
methyl (S)-2-(6-hydroxyl-2,3-dihydrobenzofuran-3-yl)acetate
CS-M1217
AKOS015904374
(S)-(6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic Acid Methyl Ester; 3-Benzofuranacetic acid, 2,3-dihydro-6-hydroxy-, methyl ester, (3S)-; ((S)-6-Hydroxy-2,3-dihydrobenzofuran-3-yl)acetic acid methyl ester; (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate; Methyl (S)-2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetat
BCP12334

MDL Number

MFCD20488619

FAQ

What are the physical and chemical properties of (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate (CAS: 1000414-38-9)?

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate is a crystalline compound with a molecular weight of approximately 242.28 g/mol. It is slightly soluble in water and has good solubility in organic solvents like ethanol and acetonitrile. This compound is reactive towards nucleophiles and can undergo ester hydrolysis under basic conditions. It is also prone to oxidation due to the presence of the hydroxyl group.

How is (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate (CAS: 1000414-38-9) typically synthesized?

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate can be synthesized via a multi-step process starting from benzofuran derivatives. Common methods involve protection of the hydroxyl group, followed by acylation, and subsequent deprotection. The reaction typically requires a chiral auxiliary for enantioselective synthesis, leading to a yield of up to 85%. The process usually involves the use of transition metal catalysts and organic solvents.

What industries use (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate (CAS: 1000414-38-9)?

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate is used in the pharmaceutical industry for the synthesis of chiral intermediates and drug candidates. It is also employed in the sensor industry for the development of gas sensors due to its reactivity with certain gases. Additionally, it has potential applications in the polymer industry as a monomer for the production of functional polymers.

What precautions should be taken when handling (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate (CAS: 1000414-38-9)?

When handling (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.