Diethyl 2,6-dibromoheptanedioate

Base Information

• Chemical Name: Diethyl 2,6-dibromoheptanedioate
• CAS No.: 868-68-8
• Molecular Formula: C11H18 Br2 O4
• Molecular Weight: 374.07
• Hs Code.: 2917190090
• European Community (EC) Number: 212-781-7
• NSC Number: 7735
• DSSTox Substance ID: DTXSID301007088
• Nikkaji Number: J195.140H
• Mol file: 868-68-8.mol

Synonyms:Diethyl 2,6-dibromoheptanedioate;868-68-8;Diethyl2,6-dibromoheptanedioate;EINECS 212-781-7;MFCD00087327;2,6-dibromoheptanedioic acid diethyl ester;C11H18Br2O4;NSC7735;SCHEMBL1415641;DTXSID301007088;NSC 7735;NSC-7735;BBL101736;STL555533;AKOS007930767;FT-0656308;A841859

Chemical Property of Diethyl 2,6-dibromoheptanedioate

Chemical Property:

• Vapor Pressure: 2.73E-05mmHg at 25°C
• Boiling Point: 357.4°C at 760 mmHg
• Flash Point: 170°C
• PSA: 52.60000
• Density: 1.531g/cm³
• LogP: 2.80990
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 373.95513
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99.90% ^*data from raw suppliers

Diethyl2,6-Dibromoheptanedioate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diethyl 2,6-dibromoheptanedioate

There total 4 articles about Diethyl 2,6-dibromoheptanedioate 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: 87.0%

heptanedioic acid (111-16-0) + ethanol (64-17-5) → diethyl 2,6-dibromoheptanedioate (868-68-8)

Guidance literature:

heptanedioic acid; With thionyl chloride; at 40 - 100 ℃;

With bromine; for 3h; Irradiation;

ethanol;

Reference yield:

→ diethyl 2,6-dibromoheptanedioate (868-68-8)

Guidance literature:

With bromine; at 75 ℃; durch allmaehliches Versetzen der kalten Reaktionsloesung mit Alkohol;

DOI:10.1021/ja01272a066

Reference yield:

diethyl pimelate (2050-20-6) → diethyl 2,6-dibromoheptanedioate (868-68-8)

Guidance literature:

With ethanol; bromine;

upstream raw materials:

heptanedioic acid

ethanol

diethyl pimelate

Downstream raw materials:

cyclopent-2-ene-1,2-dicarboxylic acid

cyclopent-1-ene-1,2-dicarboxylic acid

1-hydroxy-cyclopentane-1,2-dicarboxylic acid

Diethyl 2-(m-chlorobenzoyloxy)-3,4-dihydro-2H-selenine-2,6-dicarboxylate

Refernces

• 1、 Chrystal, Ewan J. T.,Couper, Lynda,Robins, David J.. "Synthesis of a key intermediate in the diaminopimelate pathway to L-lysine: 2,3,4,5-tetrahydrodipicolinic acid". . p. 10241 - 10252. Retrieved 2007/10/02.