6-Carboxymethyl-6H-dibenzo(b,d)pyran

Base Information

• Chemical Name: 6-Carboxymethyl-6H-dibenzo(b,d)pyran
• CAS No.: 83360-40-1
• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.258
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID501003363
• Mol file: 83360-40-1.mol

Synonyms:FCE 20881;6-Carboxymethyl-6H-dibenzo(b,d)pyran;83360-40-1;6H-Dibenzo(b,d)pyran-6-acetic acid;SCHEMBL11113459;DTXSID501003363;(6H-Dibenzo[b,d]pyran-6-yl)acetic acid;LS-61141

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

Chemical Property:

• Vapor Pressure: 8.4E-10mmHg at 25°C
• Boiling Point: 474.3°C at 760 mmHg
• Flash Point: 185.5°C
• PSA: 46.53000
• Density: 1.269g/cm³
• LogP: 3.26180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 315

Purity/Quality:

6-CARBOXYMETHYL-6H-DIBENZO(B,D)PYRAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(OC3=CC=CC=C23)CC(=O)O

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

There total 3 articles about 6-Carboxymethyl-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: 65.0%

ethyl 2-(6H-benzo[c]chromen-6-yl)acetate (83359-04-0) → 6H-dibenzopyran-6-acetic acid (83360-40-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 24h; Heating;

Reference yield:

6H-benzo[c]chromen-6-one (2005-10-9) → 6H-dibenzopyran-6-acetic acid (83360-40-1)

Guidance literature:

Multi-step reaction with 3 steps

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

2: 80 percent / benzene / 24 h / Heating

3: 65 percent / 37percent HCl / dioxane / 24 h / Heating

With hydrogenchloride; diisobutylaluminium hydride; In 1,4-dioxane; toluene; benzene;

Reference yield:

6H-Dibenzopyran-6-ol (83358-32-1) → 6H-dibenzopyran-6-acetic acid (83360-40-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / benzene / 24 h / Heating

2: 65 percent / 37percent HCl / dioxane / 24 h / Heating

With hydrogenchloride; In 1,4-dioxane; benzene;

upstream raw materials:

ethyl 2-(6H-benzo[c]chromen-6-yl)acetate

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

6H-Dibenzopyran-6-ol