Diethyl 2-bromononanedioate

Base Information

• Chemical Name: Diethyl 2-bromononanedioate
• CAS No.: 760-95-2
• Molecular Formula: C13H23 Br O4
• Molecular Weight: 323.227
• European Community (EC) Number: 212-085-3
• DSSTox Substance ID: DTXSID30997358
• Nikkaji Number: J193.124E
• Mol file: 760-95-2.mol

Synonyms:Diethyl 2-bromononanedioate;760-95-2;EINECS 212-085-3;C13H23BrO4;SCHEMBL9489696;C13-H23-Br-O4;DTXSID30997358;2-Bromononanedioic acid diethyl ester

Chemical Property of Diethyl 2-bromononanedioate

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Boiling Point: 334.5°C at 760 mmHg
• Flash Point: 156.1°C
• PSA: 52.60000
• Density: 1.225g/cm³
• LogP: 3.21670
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 322.07797
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCC(C(=O)OCC)Br

Technology Process of Diethyl 2-bromononanedioate

There total 4 articles about Diethyl 2-bromononanedioate 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:

8-ethoxycarbonyloctanoyl chloride (14812-17-0) → diethyl 2-bromononanedioate (760-95-2)

Guidance literature:

With bromine; anschliessendes Behandeln mit Aethanol;

Reference yield:

azelaic acid (123-99-9,26776-28-3) → diethyl 2-bromononanedioate (760-95-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / H₂SO₄ (sp. gr. 1.83) / Heating

With sulfuric acid;

DOI:10.1007/BF00957966

Reference yield:

ethanol (64-17-5) + azelaic acid monoethyl ester (1593-55-1) → diethyl 2-bromononanedioate (760-95-2)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1007/BF00957966

upstream raw materials:

8-ethoxycarbonyloctanoyl chloride

ethanol

azelaic acid monoethyl ester

azelaic acid

Downstream raw materials:

diethyl 2-(N-3'-hydroxy-3'-methyl-5'-phenyl-n-pentyl)-aminoazelate

diethyl 2-(N-3'-benzyloxy-n-nonyl)-aminoazelate

N-Phenyl-2-methoxycarbonyl-5-oxo-1-cyclopentenheptansaeureamid

N-Phenyl-2-carboxy-5-oxo-1-cyclopentenheptansaeureamid

Refernces