Mmbbd

Base Information

• Chemical Name: Mmbbd
• CAS No.: 63326-72-7
• Molecular Formula: C₁₉H₁₄O₄
• Molecular Weight: 306.318
• Mol file: 63326-72-7.mol

Synonyms:6-methyl-6,12-methano-6H,12H,13H-benzopyran(4,3-d)benzodioxocin-13-one;MMBBD

Chemical Property of Mmbbd

Chemical Property:

• Vapor Pressure: 1.77E-13mmHg at 25°C
• Boiling Point: 580.7°C at 760 mmHg
• Flash Point: 259.7°C
• PSA: 44.76000
• Density: 1.38g/cm³
• LogP: 3.07430
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 308.10485899
• Heavy Atom Count: 23
• Complexity: 818

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3C=CC4=C(C3=O)C=C5COC(=CC=C1)C2=C5OCO4
• Isomeric SMILES: CC12CC3C=CC4=C(C3=O)/C=C\5/COC(=CC=C1)C2=C5OCO4

Technology Process of Mmbbd

There total 3 articles about Mmbbd 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: 92.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 4-(2-hydroxyphenyl)but-3-en-2-one (22214-28-4,6051-53-2) → 1-methylcoumarino-[4',3'-c]benzo[3'',4''-f]-2,8-dioxabicyclo[3.3.1]nonane (63326-72-7)

Guidance literature:

With iodine; In ethanol; water; for 2h; Reagent/catalyst; Solvent; Temperature; Reflux;

DOI:10.1016/j.tetlet.2013.02.092

Reference yield: 88.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 4-(2-acetoxyphenyl)-3-buten-2-one (91963-02-9) → 1-methylcoumarino-[4',3'-c]benzo[3'',4''-f]-2,8-dioxabicyclo[3.3.1]nonane (63326-72-7)

Guidance literature:

With iodine; In ethanol; water; for 3h; Reflux;

DOI:10.1016/j.tetlet.2013.02.092

Reference yield: 58.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 3-acetylcoumarin (3949-36-8) → 1-methylcoumarino-[4',3'-c]benzo[3'',4''-f]-2,8-dioxabicyclo[3.3.1]nonane (63326-72-7)

Guidance literature:

With sodium hydroxide; for 20h; Heating;

DOI:10.1515/znb-2006-0216

upstream raw materials:

4-hydroxy[1]benzopyran-2-one

3-acetylcoumarin

4-(2-acetoxyphenyl)-3-buten-2-one

4-(2-hydroxyphenyl)but-3-en-2-one

Refernces

• 1、 Ganguly, Nemai C.,Mondal, Pallab,Roy, Sushmita. "A mild efficient iodine-catalyzed synthesis of novel anticoagulants with 2,8-dioxabicyclo[3.3.1]nonane core". supporting information. p. 2386 - 2390. Retrieved 2013/06/26.