BNC105

Base Information

• Chemical Name: BNC105
• CAS No.: 945771-74-4
• Molecular Formula: C20H20O7
• Molecular Weight: 372.375
• Mol file: 945771-74-4.mol

Synonyms:UNII-Z3S2Z6H7B0;BNC105;2-methyl-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-7-hydroxy-benzo[b]furan;2-methyl-3-(3,4,5-trimethoxybenzoyl)-7-hydroxy-6-methoxy-benzo[b]furan;2-methyl-7-hydroxy-3-(3,4,5-trimethoxybenzoyl)-6-methoxybenzofuran;2-methyl-7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan;(7-hydroxy-6-methoxy-2-methylbenzofuran-3-yl)(3,4,5-trimethoxyphenyl)methanone;

Chemical Property of BNC105

Chemical Property:

• Melting Point: 156-158 °C(Solv: methanol (67-56-1))
• Boiling Point: 529.3±50.0 °C(Predicted)
• PKA: 6.60±0.50(Predicted)
• PSA: 87.36000
• Density: 1.261±0.06 g/cm3(Predicted)
• LogP: 3.71220

Purity/Quality:

99%+, ^*data from raw suppliers

BNC-105 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BNC105

There total 20 articles about BNC105 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: 96.0%

6-methoxy-2-methyl-7-(propan-2-yloxy)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran (945772-41-8) → 2-methyl-7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (945771-74-4)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 5 ℃; for 10h; Inert atmosphere;

Reference yield: 94.0%

7-O-acyl-2-bromo-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-benzo[b]furan (905752-30-9) + methyllithium (917-54-4) → 2-methyl-7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (945771-74-4)

Guidance literature:

methyllithium; In tetrahydrofuran; diethyl ether; at 20 ℃; for 0.25h;

7-O-acyl-2-bromo-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-benzo[b]furan; With copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 30h; Further stages.;

DOI:10.1021/jo701656z

Reference yield: 93.0%

7-O-acyl-2-bromo-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-benzo[b]furan (905752-30-9) + zinc methyl bromide (18815-74-2) → 2-methyl-7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)benzo[b]furan (945771-74-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jm200454y

upstream raw materials:

7-O-acyl-2-bromo-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-benzo[b]furan

dihydroxy-methyl-borane

6-methoxy-2-methyl-7-(propan-2-yloxy)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran

2-methyl-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-7-(4-methyl-benzene-sulphonate)-benzo[b]furan

Downstream raw materials:

dibenzyl 6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)benzofuran-7-yl phosphate

C₂₀H₂₁O₁₀P

2-methyl-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-7-O-acyl-benzo[b]furan

Refernces

• 1、 -. "Combination Therapy for Treating Proliferative Diseases". Paragraph 0086; 0087. . Retrieved 2018/10/31.
• 2、 -. "A THERAPEUTIC PROTOCOL FOR TREATING OVARIAN CANCER". Paragraph 0110. . Retrieved 2017/05/20.