Diethyl[(4-bromophenyl)amino]propanedioate

Base Information

• Chemical Name: Diethyl[(4-bromophenyl)amino]propanedioate
• CAS No.: 5500-48-1
• Molecular Formula: C13H16BrNO4
• Molecular Weight: 330.178
• NSC Number: 59982
• DSSTox Substance ID: DTXSID00289252
• Nikkaji Number: J3.616.870F
• Wikidata: Q82026474

Synonyms:5500-48-1;diethyl[(4-bromophenyl)amino]propanedioate;NSC59982;NCIOpen2_007740;SCHEMBL6723220;DTXSID00289252;NSC-59982;diethyl 2-[(4-bromophenyl)amino]malonate

Chemical Property of Diethyl[(4-bromophenyl)amino]propanedioate

Chemical Property:

• Vapor Pressure: 4.74E-06mmHg at 25°C
• Boiling Point: 382.4°C at 760 mmHg
• Flash Point: 185.1°C
• Density: 1.426g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 329.02627
• Heavy Atom Count: 19
• Complexity: 285

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)OCC)NC1=CC=C(C=C1)Br

Technology Process of Diethyl[(4-bromophenyl)amino]propanedioate

There total 3 articles about Diethyl[(4-bromophenyl)amino]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: 90.0%

1,3-diethyl 2-diazopropanedioate (5256-74-6) + 4-bromo-aniline (106-40-1) → diethyl 2-[(4-bromophenyl)amino]malonate (5500-48-1)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; In water; at 20 ℃; for 12h; Inert atmosphere; Green chemistry;

DOI:10.1039/c7ob00177k

Reference yield: 41.0%

Diethyl 2-bromomalonate (685-87-0) + 4-bromo-aniline (106-40-1) → diethyl 2-[(4-bromophenyl)amino]malonate (5500-48-1)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 16h;

Reference yield:

→ diethyl 2-[(4-bromophenyl)amino]malonate (5500-48-1)

Guidance literature:

Brommalonester u. 4-Brom-anilin ;

upstream raw materials:

Diethyl 2-bromomalonate

4-bromo-aniline

1,3-diethyl 2-diazopropanedioate

Downstream raw materials:

N-(4-bromophenyl)-5,5-diethoxycarbonylpyrrolidone

5-oxo-1-phenyl-pyrrolidine-2,2-dicarboxylic acid diethyl ester

5-oxo-1-[4-(4-phenoxy-phenoxy)-phenyl]-pyrrolidine-2,2-dicarboxylic acid diethyl ester

1-[4-(4-methoxycarbonyl-phenoxy)-phenyl]-5-oxo-pyrrolidine-2,2-dicarboxylic acid diethyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 5500-48-1 diethyl [(4-bromophenyl)amino]propanedioate

Send

Send

Metric Ton KG G Pound L ML

Send

Send