6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran

Base Information

• Chemical Name: 6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran
• CAS No.: 83359-48-2
• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.258
• DSSTox Substance ID: DTXSID101003359
• Mol file: 83359-48-2.mol

Synonyms:FCE 20562;6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran;6-Methyl-6H-dibenzo(b,d)pyran-6-carboxylic acid;6H-Dibenzo(b,d)pyran-6-carboxylic acid, 6-methyl-;83359-48-2;6-Methyl-6H-dibenzo[b,d]pyran-6-carboxylic acid;SCHEMBL11105120;DTXSID101003359;LS-61150

Chemical Property of 6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran

Chemical Property:

• Vapor Pressure: 7.17E-09mmHg at 25°C
• Boiling Point: 449.6°C at 760 mmHg
• Flash Point: 174.9°C
• Density: 1.279g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 341

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2=CC=CC=C2C3=CC=CC=C3O1)C(=O)O

Technology Process of 6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran

There total 5 articles about 6-Carboxy-6-methyl-6H-dibenzo(b,d)pyran 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: 95.0%

6H-6-methyl-dibenzopyran-6-carbonitrile (83358-49-0) → 6H-6-methyl-dibenzopyran-6-carboxylic acid (83359-48-2)

Guidance literature:

With methanol; potassium hydroxide; for 16h; Heating;

Reference yield:

6H-benzo[c]chromen-6-one (2005-10-9) → 6H-6-methyl-dibenzopyran-6-carboxylic acid (83359-48-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 83 percent / 1.2M diisobutyl aluminium hydride / toluene / 1 h / -70 °C

2: 90 percent / ZnI₂ / benzene / 0.5 h / Ambient temperature

3: 90 percent / 50percent NaH in mineral oil / dimethylformamide / 1 h

4: 95 percent / 1N KOH/MeOH / 16 h / Heating

With methanol; potassium hydroxide; sodium hydride; diisobutylaluminium hydride; zinc(II) iodide; In N,N-dimethyl-formamide; toluene; benzene;

Reference yield:

6H-dibenzopyran-6-carbonitrile (83358-33-2) → 6H-6-methyl-dibenzopyran-6-carboxylic acid (83359-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 50percent NaH in mineral oil / dimethylformamide / 1 h

2: 95 percent / 1N KOH/MeOH / 16 h / Heating

With methanol; potassium hydroxide; sodium hydride; In N,N-dimethyl-formamide;

upstream raw materials:

6H-6-methyl-dibenzopyran-6-carbonitrile

6H-benzo[c]chromen-6-one

6H-dibenzopyran-6-carbonitrile

6H-Dibenzopyran-6-ol

Downstream raw materials:

6H-2-chloro-6-methyl-dibenzopyran-6-carboxylic acid