7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl-

Base Information

• Chemical Name: 7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl-
• CAS No.: 7469-12-7
• Molecular Formula: C₁₃H₁₀O₃
• Molecular Weight: 214.221
• NSC Number: 401306
• UNII: ZL781E2C91
• DSSTox Substance ID: DTXSID30225663
• Nikkaji Number: J1.758.814A
• Wikidata: Q83104732
• Mol file: 7469-12-7.mol

Synonyms:3,4-Dimethylpsoralen;NSC401306;7469-12-7;ZL781E2C91;7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl-;NSC-401306;5,6-dimethylfuro[3,2-g]chromen-7-one;5,6-Dimethyl-7H-furo[3,2-g]chromen-7-one;UNII-ZL781E2C91;SCHEMBL6994969;DTXSID30225663;NSC 401306;5,6-DIMETHYL-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE;5-BENZOFURANACRYLIC ACID, 6-HYDROXY-.ALPHA.,.BETA.-DIMETHYL-, .DELTA.-LACTONE

Chemical Property of 7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl-

Chemical Property:

• Vapor Pressure: 1.3E-05mmHg at 25°C
• Boiling Point: 368.2°C at 760 mmHg
• Flash Point: 176.5°C
• Density: 1.26g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 214.062994177
• Heavy Atom Count: 16
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)OC2=C1C=C3C=COC3=C2)C

Technology Process of 7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl-

There total 5 articles about 7H-Furo(3,2-g)(1)benzopyran-7-one, 5,6-dimethyl- 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: 71.0%

2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetaldehyde (462094-43-5) → 5,6-Dimethyl-psoralen (7469-12-7) + 6,7-dimethyl-5H-furo<2,3-h><1>benzopyran-5-one (91666-90-9)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 4h; Heating;

DOI:10.1016/S0040-4020(02)00441-6

Reference yield:

7-hydroxy-8-iodo-3,4-dimethyl-2H-1-benzopyran-2-one (122249-11-0) → 5,6-Dimethyl-psoralen (7469-12-7)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / Heating

2: N,N-dimethylaniline / Heating

3: 1.) OsO₄, KIO₄, 2.) PPA / 1.) ethyl acetate, water

With osmium(VIII) oxide; potassium metaperiodate; potassium carbonate; N,N-dimethyl-aniline; In acetone;

Reference yield:

6-allyl-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one (24243-26-3) → 5,6-Dimethyl-psoralen (7469-12-7)

Guidance literature:

With osmium(VIII) oxide; potassium metaperiodate; Multistep reaction; 1.) ethyl acetate, water;

upstream raw materials:

6-allyl-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one

2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetaldehyde

7-hydroxy-8-iodo-3,4-dimethyl-2H-1-benzopyran-2-one

7-allyloxy-3,4-dimethyl-8-iodo-2H-1-benzopyran-2-one