6-methoxy-2,2-dimethyl-2H-1-benzopyran

Base Information

• Chemical Name: 6-methoxy-2,2-dimethyl-2H-1-benzopyran
• CAS No.: 22927-97-5
• Molecular Formula: C₁₂H₁₄O₂
• Molecular Weight: 190.242
• Hs Code.: 2909199090
• UNII: 7NS4P2Z39S
• DSSTox Substance ID: DTXSID80471673
• Nikkaji Number: J658.678C
• Wikidata: Q27268623
• Mol file: 22927-97-5.mol

Synonyms:22927-97-5;6-METHOXY-2,2-DIMETHYL-2H-CHROMENE;6-methoxy-2,2-dimethyl-2H-1-benzopyran;6-Methoxy-2,2-dimethylchromene;2H-1-Benzopyran, 6-methoxy-2,2-dimethyl-;7NS4P2Z39S;2,2-Dimethyl-6-methoxybenzopyran;6-Methoxy-2,2-dimethylbenzopyran;2,2-Dimethyl-6-methoxy-2H-chromene;UNII-7NS4P2Z39S;SCHEMBL2009830;DTXSID80471673;GBNGEWROXPPBOJ-UHFFFAOYSA-N;Q27268623

Chemical Property of 6-methoxy-2,2-dimethyl-2H-1-benzopyran

Chemical Property:

• Boiling Point: 132-136 °C(Press: 15 Torr)
• PSA: 18.46000
• Density: 1.039±0.06 g/cm3(Predicted)
• LogP: 2.87940
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

6-Methoxy-2,2-dimethyl-2H-chromene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)OC)C

Technology Process of 6-methoxy-2,2-dimethyl-2H-1-benzopyran

There total 40 articles about 6-methoxy-2,2-dimethyl-2H-1-benzopyran 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: 99.0%

1-(1,1-dimethyl-2-propynyloxy)-4-methoxy benzene (33143-89-4) → 6-methoxy-2,2-dimethyl-2H-chromene (22927-97-5)

Guidance literature:

With Echavarren's catalyst; In dichloromethane; at 18 ℃; for 1h;

DOI:10.1021/acs.joc.0c02011

Reference yield: 93.0%

4-methoxy-2-(3-methylbut-2-enyl)phenol (25974-58-7) → 6-methoxy-2,2-dimethyl-2H-chromene (22927-97-5)

Guidance literature:

4-methoxy-2-(3-methylbut-2-enyl)phenol; With selenium bromide polystyrene resin; In dichloromethane; at 0 - 25 ℃; for 0.5h;

With dihydrogen peroxide; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1002/(SICI)1521-3773(20000218)39:4<734::AID-ANIE734>3.0.CO;2-I

Reference yield: 90.0%

4-methoxy-phenol (150-76-5) + 2-methyl-but-3-yn-2-ol (115-19-5) → 6-methoxy-2,2-dimethyl-2H-chromene (22927-97-5)

Guidance literature:

With rhenium(I) pentacarbonyl chloride; In hexane; at 60 ℃; for 6h;

DOI:10.1016/j.tetlet.2011.05.093

upstream raw materials:

methyl magnesium iodide

6-methoxycoumarin

2-hydroxy-5-methoxybenzaldehyde

ethyl 3-methylbut-2-enoate

Downstream raw materials:

6-methoxy-2,2-dimethyl-chroman-4-one-(2,4-dinitro-phenylhydrazone)

4-methoxy-2-(3-methylbut-2-enyl)phenol

4-methoxy-2-(3-methylbutyl)phenol

Refernces

6-Substituted benzopyrans as potassium channel activators: Synthesis, vasodilator properties, and multivariate analysis

10.1021/jm981047m

The study focuses on the synthesis and evaluation of 6-substituted benzopyrans as potassium channel activators, which have potential applications in treating hypertension and bronchodilation. The researchers synthesized a series of new benzopyran compounds with varying substitutions at the 6-position and assessed their vasodilator properties in rat aorta and trachea. The structure-activity relationships (SAR) of these compounds were investigated using principal component analysis (PCA) and partial least-squares (PLS) analysis. The study identified key chemical descriptors that influence the biological potency of the benzopyrans, such as electronegativity, integy moment, substituent size, lipophilicity, and minimum energies of interaction. The findings provide insights into the design of more effective benzopyran-based potassium channel activators with optimized pharmacological properties.

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