8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one

Base Information

• Chemical Name: 8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one
• CAS No.: 25782-05-2
• Molecular Formula: C18H15ClO3
• Molecular Weight: 314.768
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40553661
• Wikidata: Q82434304
• Mol file: 25782-05-2.mol

Synonyms:25782-05-2;8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one;8-(chloromethyl)-7-methoxy-3-methyl-2-phenylchromen-4-one;8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-chromen-4-one;DTXSID40553661;8-CHLOROMETHYL-7-METHOXY-3-METHYLFLAVONE

Chemical Property of 8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one

Chemical Property:

• Melting Point: 170-172 °C
• Boiling Point: 487.9±45.0 °C(Predicted)
• PSA: 39.44000
• Density: 1.264±0.06 g/cm3(Predicted)
• LogP: 4.51580
• Solubility.: Dichloromethane; Methanol
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 314.0709720
• Heavy Atom Count: 22
• Complexity: 453

Purity/Quality:

98.5% ^*data from raw suppliers

3-Methyl-7-methoxy-8-(chloromethyl)flavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=C(C1=O)C=CC(=C2CCl)OC)C3=CC=CC=C3
• Uses: 3-Methyl-7-methoxy-8-(chloromethyl)flavone is an intermediate in synthesizing Dimefline Hydrochloride (D448250). Dimefline is a new respiratory stimulant drug.

Technology Process of 8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-one

There total 5 articles about 8-(Chloromethyl)-7-methoxy-3-methyl-2-phenyl-4H-1-benzopyran-4-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: 80.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-methyl-7-methoxy-2-phenyl-4H-benzopyran-4-one (18651-16-6) → 7-methoxy-8-chloromethyl-3-methylflavonoide (25782-05-2)

Guidance literature:

With hydrogenchloride; acetic acid; at 75 - 85 ℃;

Reference yield:

2-hydroxy-4-methoxypropiophenone (6270-44-6) → 7-methoxy-8-chloromethyl-3-methylflavonoide (25782-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium benzoate / 190 °C

2: acetic acid; aqueous hydrochloric acid / Einleiten von Chlorwasserstoff

With hydrogenchloride; sodium benzoate; acetic acid;

Reference yield:

benzoyl chloride (98-88-4) → 7-methoxy-8-chloromethyl-3-methylflavonoide (25782-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium benzoate / 190 °C

2: acetic acid; aqueous hydrochloric acid / Einleiten von Chlorwasserstoff

With hydrogenchloride; sodium benzoate; acetic acid;

upstream raw materials:

formaldehyd

3-methyl-7-methoxy-2-phenyl-4H-benzopyran-4-one

hydrogenchloride

acetic acid

Downstream raw materials:

7-methoxy-3,8-dimethyl-2-phenyl-chromen-4-one

8-acetoxymethyl-7-methoxy-3-methyl-2-phenyl-chromen-4-one

7-hydroxy-3,8-dimethyl-2-phenyl-chromen-4-one

8-hydroxymethyl-7-methoxy-3-methyl-2-phenyl-chromen-4-one