1000414-38-9

Basic information

• Product Name: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate
• Synonyms: (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 2-(hydroxy-2,3-dihydrobenzofuran-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;methyl 2-[(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetate;(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate;(S)-Methyl 6-Hydroxy-2,3-dihydrobenzofuran-3-ylacetate,99%e.e.
• CAS NO: 1000414-38-9
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21058
• Mol File: 1000414-38-9.mol
• Article Data: 22

Chemical Properties

• Boiling Point: 326.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.257±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 9.77±0.40(Predicted)
• CAS DataBase Reference: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate(1000414-38-9)
• EPA Substance Registry System: (S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate(1000414-38-9)

Safety Data

• Hazardous Substances Data: 1000414-38-9(Hazardous Substances Data)

Usage

Description

(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate, also known as (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). It is a synthetic intermediate with potential applications in the pharmaceutical industry due to its role in the development of novel medications.

Uses

Used in Pharmaceutical Industry:
(S)-Methyl 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetate is used as a synthetic intermediate for the development of TAK-875 (T004915), a novel oral medication. The application reason is to improve the secretion of insulin in a glucose-dependent manner, which can be beneficial for the treatment of diabetes and related conditions.

Upstream product

• 1000414-37-8 2-(6-hydroxy-2,3-dihydrobenzofuran-3-yl)acetic acid 
• 726174-52-3 (6-hydroxy-benzofuran-3-yl)-acetic acid methyl ester 
• 67-56-1 methanol 
• 805250-17-3 (6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester 
• 69716-04-7 2-(6-hydroxy-1-benzofuran-3-yl)acetic acid 
• 124-41-4 sodium methylate 
• 1394138-45-4 (6-hydroxy-1-benzofuran-3-yl)acetic acid (1R)-1-phenylethylamine salt 
• 1394138-46-5 [(3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid (1R)-1-phenylethylamine salt 
• 108-46-3 recorcinol 
• 25392-41-0 4-chloromethyl-7-hydroxycoumarin 

Downstream Products

• 1000413-88-6 methyl [(3S)-6-({4'-[2-(ethylsulfanyl)ethoxy]-2',6'-dimethylbiphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate 
• 1000413-72-8 [(3S)-6-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy]biphenyl-3-yl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid 
• 1610884-87-1 {(S)-6-[(R)-7-fluoro-4-phenoxy-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid 
• 1610885-17-0 {(S)-6-[(R)-4-(4-cyano-3-fluoro-phenoxy)-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid 
• 1610885-18-1 {(S)-6-[(R)-4-(2-cyano-5-fluoro-phenoxy)-7-fluoro-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid 
• 1610884-33-7 {(S)-6-[(R)-7-fluoro-4-phenoxy-indan-1-yloxy]-2,3-dihydro-benzofuran-3-yl}-acetic acid methyl ester 

Relevant articles and documents

Identification of highly potent and orally available free fatty acid receptor 1 agonists bearing isoxazole scaffold

The free fatty acid receptor 1 (FFA1) is being considered to be a novel anti-diabetic target based on its role in amplifying insulin secretion. We have previously identified several series of FFA1 agonists with different heterocyclic scaffolds. Herein, we describe the structural exploration of other heterocyclic scaffolds directed by drug-like physicochemical properties. Further structure-based design and chiral resolution provided the most potent compound 11 (EC50 = 7.9 nM), which exhibited improved lipophilicity (LogD7.4: 1.93), ligand efficiency (LE = 0.32) and ligand lipophilicity efficiency (LLE = 6.2). Moreover, compound 11 revealed an even better pharmacokinetic property than that of TAK-875 in terms of plasma clearance, maximum concentration, and plasma exposure. Although robust agonistic activity and PK profiles for compound 11, the glucose-lowering effects in vivo is not ideal, and the exact reason for in vitro/in vivo difference was worthy for further exploration.

Iridium-Catalyzed Enantioselective Hydrogenation of Indole and Benzofuran Derivatives

Enantioselective hydrogenation of a broad spectrum of N-, O-, and S-containing aromatic benzoheterocycles or nonaromatic unsaturated heterocycles has been realized by using an Ir/SpinPHOX (SpinPHOX=spiro[4,4]-1,6-nonadiene-based phosphine-oxazoline) complex as the catalyst, affording an array of the corresponding chiral benzoheterocycles (30 examples) with excellent enantioselectivities (>99 % ee in most cases) and turnover numbers up to 500.

GPR40 receptor stimulant, and preparation method, pharmaceutical composition and application thereof

The invention discloses a GPR40 receptor stimulant, and a preparation method, a pharmaceutical composition and application thereof. The invention particularly discloses a GPR40 receptor stimulant shown in general formula (I) and pharmacologically acceptable salt thereof, a preparation process of the compound, a pharmaceutical composition containing the compound of general formula (I), and application of the compound and the pharmaceutical composition in anti-diabetes.