2-Bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione

Base Information

• Chemical Name: 2-Bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione
• CAS No.: 52046-57-8
• Molecular Formula: C17H15BrO4
• Molecular Weight: 363.20300
• DSSTox Substance ID: DTXSID10483961
• Wikidata: Q82321856
• Mol file: 52046-57-8.mol

Synonyms:2-bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione;52046-57-8;SBB022575;DTXSID10483961;AKOS005167253;NCGC00338236-01;CS-0302719;EN300-229943;AB01331502-02;2-BROMO-1,3-BIS(4-METHOXYPHENYL)-1,3-PROPANEDIONE

Chemical Property of 2-Bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione

Chemical Property:

• PSA: 52.60000
• LogP: 3.53290
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 362.01537
• Heavy Atom Count: 22
• Complexity: 346

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=C(C=C2)OC)Br

Technology Process of 2-Bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione

There total 5 articles about 2-Bromo-1,3-bis(4-methoxyphenyl)propane-1,3-dione 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: 81.0%

1,3-bis(4'-methoxyphenyl)propane-1,3-dione (18362-51-1) → 1,3-bis(4'-methoxyphenyl)-2-bromopropane-1,3-dione (52046-57-8)

Guidance literature:

With N-Bromosuccinimide; at 20 ℃; for 12h; regioselective reaction; Sealed tube;

DOI:10.1002/ejoc.201800994

Reference yield:

methyl 4-methoxybenzoate (121-98-2) → 1,3-bis(4'-methoxyphenyl)-2-bromopropane-1,3-dione (52046-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / NaH / dimethylsulfoxide; diethyl ether / 12 h / 20 °C

2: pyridine; Br₂ / CH₂Cl₂ / 0.5 h / -5 °C

With pyridine; bromine; sodium hydride; In diethyl ether; dichloromethane; dimethyl sulfoxide;

DOI:10.1080/10426500307926

Reference yield:

1-(4-methoxyphenyl)ethanone (100-06-1) → 1,3-bis(4'-methoxyphenyl)-2-bromopropane-1,3-dione (52046-57-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / NaH / dimethylsulfoxide; diethyl ether / 12 h / 20 °C

2: pyridine; Br₂ / CH₂Cl₂ / 0.5 h / -5 °C

With pyridine; bromine; sodium hydride; In diethyl ether; dichloromethane; dimethyl sulfoxide;

DOI:10.1080/10426500307926

upstream raw materials:

1,3-bis(4'-methoxyphenyl)propane-1,3-dione

methyl 4-methoxybenzoate

1-(4-methoxyphenyl)ethanone

4-methoxy-benzoyl chloride

Downstream raw materials:

Pyridinium-bis(4-methoxybenzoyl)methanid

2-Acetoxy-1,3-di--propan-1,3-dion

1,3,4,6-tetrakis(4'-methoxyphenyl)-2λ⁴δ²-thieno[3,4-c]thiophene

2,2-Diacetoxy-1,3-di-(p-methoxyphenyl)-propan-1,3-dion

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