Bis(4-bromophenyl) propanedioate

Base Information

• Chemical Name: Bis(4-bromophenyl) propanedioate
• CAS No.: 116210-64-1
• Molecular Formula: C15H10 Br2 O4
• Molecular Weight: 414.05
• DSSTox Substance ID: DTXSID80700293
• Wikidata: Q82631552
• Mol file: 116210-64-1.mol

Synonyms:bis(4-bromophenyl) propanedioate;116210-64-1;SCHEMBL1820226;DTXSID80700293;BIS(4-BROMOPHENYL) MALONATE;BIS-(4-BROMOPHENYL)MALONATE;Malonic acid bis(p-bromophenyl)ester;AKOS015910316;Propanedioic acid,1,3-bis(4-bromophenyl)ester

Chemical Property of Bis(4-bromophenyl) propanedioate

Chemical Property:

• PSA: 52.60000
• LogP: 4.11270
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 413.89253
• Heavy Atom Count: 21
• Complexity: 325

Purity/Quality:

99% ^*data from raw suppliers

BIS-(4-BROMOPHENYL)MALONATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=O)CC(=O)OC2=CC=C(C=C2)Br)Br

Technology Process of Bis(4-bromophenyl) propanedioate

There total 1 articles about Bis(4-bromophenyl) propanedioate 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: 94.0%

4-bromo-phenol (106-41-2) + malonic acid (141-82-2) → bis(4-bromophenyl) malonate (116210-64-1)

Guidance literature:

With trichlorophosphate; at 0 - 110 ℃;

DOI:10.1021/acs.orglett.1c02640

Reference yield: 91.0%

bis(4-bromophenyl) malonate (116210-64-1) + 2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-phenylacetonitrile → bis(4-bromophenyl) (R)-2-(cyano(4-hydroxyphenyl)(phenyl)methyl)malonate

Guidance literature:

With ((2S,3S)-2-(3,5-bis(trifluoromethyl)benzamido)-3-methylpentyl)triphenylphosphonium bromide; water; potassium carbonate; In diethyl ether; at -78 ℃; for 36h; enantioselective reaction;

DOI:10.1021/acs.orglett.1c02640

Reference yield: 29.0%

6-methylhepto-5-enal (68654-16-0) + bis(4-bromophenyl) malonate (116210-64-1) → 2-(6-Methyl-hept-5-enylidene)-malonic acid bis-(4-bromo-phenyl) ester (116232-25-8)

Guidance literature:

With piperdinium acetate;

upstream raw materials:

4-bromo-phenol

malonic acid

Downstream raw materials:

2-(6-Methyl-hept-5-enylidene)-malonic acid bis-(4-bromo-phenyl) ester

6-bromo-4-hydroxycoumarin