3,3-Dihydroxy-2-methoxy-2-phenylchroman-4-one

Base Information

• Chemical Name: 3,3-Dihydroxy-2-methoxy-2-phenylchroman-4-one
• CAS No.: 1808-07-7
• Molecular Formula: C₁₆H₁₄O₅
• Molecular Weight: 286.284
• NSC Number: 102055
• DSSTox Substance ID: DTXSID00295459
• ChEMBL ID: CHEMBL485267
• Mol file: 1808-07-7.mol

Synonyms:1808-07-7;NSC-102055;NSC102055;3,3-dihydroxy-2-methoxy-2-phenylchroman-4-one;CHEMBL485267;DTXSID00295459

Chemical Property of 3,3-Dihydroxy-2-methoxy-2-phenylchroman-4-one

Chemical Property:

• Vapor Pressure: 8.88E-11mmHg at 25°C
• Boiling Point: 499°Cat760mmHg
• Flash Point: 189°C
• Density: 1.41g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1(C(C(=O)C2=CC=CC=C2O1)(O)O)C3=CC=CC=C3

Technology Process of 3,3-Dihydroxy-2-methoxy-2-phenylchroman-4-one

There total 3 articles about 3,3-Dihydroxy-2-methoxy-2-phenylchroman-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: 67.0%

methanol (67-56-1) + 3-hydroxyflavone (577-85-5,66585-05-5) → 3,3-dihydroxy-2-methoxy-2-phenylchroman-4-one (1808-07-7) + 3-hydroxy-2,3-dimethoxy-2-phenylchroman-4-one

Guidance literature:

With water; oxygen; copper(ll) bromide; for 24h; Reflux;

DOI:10.1016/j.ica.2020.119855

Reference yield:

3-hydroxy-2,3-dimethoxy-2-phenylchroman-4-one → 3,3-dihydroxy-2-methoxy-2-phenylchroman-4-one (1808-07-7)

Guidance literature:

With water; copper(ll) bromide; In chloroform-d1; at 60 ℃; for 120h; Sealed tube;

DOI:10.1016/j.ica.2020.119855

Reference yield:

3-hydroxyflavone (577-85-5,66585-05-5) → 3,3-dihydroxy-2-methoxy-2-phenylchroman-4-one (1808-07-7)

Guidance literature:

Multi-step reaction with 2 steps

1: oxygen; copper(ll) bromide; water / 24 h / Reflux

2: copper(ll) bromide; water / chloroform-d1 / 120 h / 60 °C / Sealed tube

With water; oxygen; copper(ll) bromide; In chloroform-d1;

DOI:10.1016/j.ica.2020.119855

upstream raw materials:

3-hydroxyflavone

methanol