8-Methoxychroman-3-one

Base Information

• Chemical Name: 8-Methoxychroman-3-one
• CAS No.: 91520-00-2
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.188
• Hs Code.: 2932999099
• European Community (EC) Number: 839-892-9
• DSSTox Substance ID: DTXSID50465029
• Nikkaji Number: J1.997.989J
• Wikidata: Q82290675
• Mol file: 91520-00-2.mol

Synonyms:8-methoxychroman-3-one;91520-00-2;8-Methoxy-3-Chromanone;8-methoxy-4H-chromen-3-one;8-methoxy-3,4-dihydro-2H-1-benzopyran-3-one;SCHEMBL7363824;DTXSID50465029;AKOS006285503;AB43975;CS-0236637;FT-0658156;EN300-172110;A843959

Chemical Property of 8-Methoxychroman-3-one

Chemical Property:

• Vapor Pressure: 0.000292mmHg at 25°C
• Boiling Point: 321.7°C at 760 mmHg
• Flash Point: 139.4°C
• PSA: 35.53000
• Density: 1.205g/cm³
• LogP: 1.19920
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

8-methoxy-3,4-dihydro-2H-1-benzopyran-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC2=C1OCC(=O)C2

Technology Process of 8-Methoxychroman-3-one

There total 12 articles about 8-Methoxychroman-3-one 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: 70.0%

1-methoxy-2-(prop-2-ynyloxy)benzene (41580-71-6) → 8-methoxy-3,4-dihydro-2H-1-benzopyran-3-one (91520-00-2)

Guidance literature:

With diethyl 2,6-diethylpyridine-3,5-dicarboxylate N-oxide; (2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl)AuNTf₂; In 1,2-dichloro-ethane; at 20 ℃;

DOI:10.1002/anie.201107561

Reference yield:

8-methoxy-2H-chromene-3-carboxylic acid (57543-59-6) → 8-methoxy-3,4-dihydro-2H-1-benzopyran-3-one (91520-00-2)

Guidance literature:

With hydrogenchloride; diphenyl phosphoryl azide; triethylamine; Multistep reaction; 1.) toluene, 80-85 deg C, 1.5 h, 2.) reflux, 2 h;

DOI:10.1021/jm00398a032

Reference yield:

8‐methoxy‐2H‐chromene‐3‐carbonitrile (57543-69-8) → 8-methoxy-3,4-dihydro-2H-1-benzopyran-3-one (91520-00-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: (PhO)2P(O)N₃; Et₃N; HCl

With hydrogenchloride; sodium hydroxide; diphenyl phosphoryl azide; triethylamine; 2: Curtius rearrangement;

DOI:10.1021/jm0498102

upstream raw materials:

(2-carboxymethoxy-3-methoxy-phenyl)-acetic acid

acetic anhydride

8-methoxy-2H-chromene-3-carboxylic acid

8‐methoxy‐2H‐chromene‐3‐carbonitrile

Downstream raw materials:

Dibenzyl-((R)-8-methoxy-chroman-3-yl)-amine

Carbonic acid ethyl ester (R)-3-hydroxy-chroman-8-yl ester

Carbonic acid ethyl ester (S)-3-nitrooxy-chroman-8-yl ester

Benzenesulfonic acid (R)-8-ethoxycarbonyloxy-chroman-3-yl ester

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