Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate

Base Information

Chemical Name:Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate
CAS No.:1109-18-8
Molecular Formula:C₂₄H₂₀N₂O₈
Molecular Weight:464.431
Hs Code.:
NSC Number:117588
DSSTox Substance ID:DTXSID50297726
ChEMBL ID:CHEMBL1893238
Mol file:1109-18-8.mol

Synonyms:MLS002706759;1109-18-8;NSC117588;CHEMBL1893238;SCHEMBL11773628;DTXSID50297726;AKOS005167155;NSC-117588;SMR001574158;Dimethyl 2,5-bis(1,3-dioxoisoindolin-2-yl)hexanedioate

Suppliers and Price of Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate

Chemical Property:

Vapor Pressure:1.09E-15mmHg at 25°C
Boiling Point:628.1°Cat760mmHg
Flash Point:333.6°C
Density:1.447g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:464.12196560
Heavy Atom Count:34
Complexity:781

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C(CCC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)N3C(=O)C4=CC=CC=C4C3=O

Technology Process of Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate

There total 6 articles about Dimethyl 2,5-bis(1,3-dioxoisoindol-2-yl)hexanedioate 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%

: 868-72-4,53490-47-4,124819-17-6
dimethyl 2,5-dibromohexanedioate

: 1074-82-4
potassium phtalimide

: 1109-18-8
dimethyl 2,5-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanedioate

Guidance literature:: In N,N-dimethyl-formamide; at 90 ℃; for 2h;
DOI:10.1021/jacs.5b12695

Reference yield:

: 868-72-4,53490-47-4,124819-17-6
dimethyl (2R,5S)-2,5-dibromohexanedioate

: 1074-82-4
potassium phtalimide

: 1109-18-8
dimethyl 2,5-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanedioate

Guidance literature:: With N,N-dimethyl-formamide;
DOI:10.1021/ja01162a527

Reference yield:

: 124-04-9
Adipic acid

: 1109-18-8
dimethyl 2,5-bis(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanedioate

Guidance literature:: Multi-step reaction with 4 steps

1: thionyl chloride / 3 h / 80 °C / Inert atmosphere

2: bromine / 8 °C / Irradiation

3: 14 h / 20 °C / Cooling with ice

4: N,N-dimethyl-formamide / 2 h / 90 °C

With thionyl chloride; bromine; In N,N-dimethyl-formamide;
DOI:10.1021/jacs.5b12695