Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate

Base Information

• Chemical Name: Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate
• CAS No.: 726174-52-3
• Molecular Formula: C11H10O4
• Molecular Weight: 206.198
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30696970
• Mol file: 726174-52-3.mol

Synonyms:METHYL 2-(6-HYDROXYBENZOFURAN-3(2H)-YLIDENE)ACETATE;DTXSID30696970;AKOS030228779;Methyl (6-hydroxy-1-benzofuran-3(2H)-ylidene)acetate

Chemical Property of Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate

Chemical Property:

• Boiling Point: 376.4±42.0 °C at 760 mmHg
• Flash Point: 151.3±21.4 °C
• PSA: 55.76000
• Density: 1.4±0.1 g/cm³
• LogP: 1.34100
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.05790880
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

methyl2-(6-hydroxybenzofuran-3-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C=C1COC2=C1C=CC(=C2)O

Technology Process of Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate

There total 2 articles about Methyl 2-(6-hydroxybenzofuran-3(2H)-ylidene)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 20.0%

6-hydroxybenzofuran-3-one (6272-26-0) → (6-hydroxy-benzofuran-3-yl)-acetic acid methyl ester (726174-52-3)

Guidance literature:

With methyl (triphenylphosphoranylidene)acetate; In xylene; for 6h; Heating / reflux;

Reference yield: 20.0%

6-hydroxybenzofuran-3-one (6272-26-0) + methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) → (6-hydroxy-benzofuran-3-yl)-acetic acid methyl ester (726174-52-3)

Guidance literature:

In xylenes; for 6h; Heating / reflux;

Reference yield: 97.0%

(6-hydroxy-benzofuran-3-yl)-acetic acid methyl ester (726174-52-3) → methyl ((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate (1000414-38-9,1234474-58-8)

Guidance literature:

With hydrogen; C₃₉H₃₆IrNOP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); In dichloromethane; at 25 ℃; for 24h; under 38002.6 Torr; enantioselective reaction; Autoclave; Glovebox;

DOI:10.1002/chem.202002532

upstream raw materials:

6-hydroxybenzofuran-3-one

methyl (triphenylphosphoranylidene)acetate

Downstream raw materials:

(6-hydroxy-2,3-dihydro-benzofuran-3-yl)-acetic acid methyl ester

[(R)-6-hydroxy-2,3-dihydro-benzofuran-3-yl]-acetic acid methyl ester

methyl ((3S)-6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate

C₂₃H₁₈F₃NO₄S