ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate

Base Information

Chemical Name:ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate
CAS No.:5628-31-9
Molecular Formula:C₁₄H₁₆O₆
Molecular Weight:280.277
Hs Code.:
DSSTox Substance ID:DTXSID40369683
ChEMBL ID:CHEMBL1378251

Synonyms:F1189-0016;406709-90-8;ethyl 4-(5-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate;ethyl 4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzoate;5628-31-9;MLS000113780;CBMicro_032574;Oprea1_128518;CHEMBL1378251;DTXSID40369683;REGID_for_CID_2731156;HMS2158P14;HMS3314L21;STL439555;AKOS000620868;AKOS016194342;CCG-113709;ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate;SMR000109672;BIM-0032425.P001;Z56926578;ethyl 4-(5-methyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzoa te

Suppliers and Price of ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate

Supply Marketing:

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

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Chemical Property of ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate

Chemical Property:

Vapor Pressure:1.21E-11mmHg at 25°C
Boiling Point:538°C at 760 mmHg
Flash Point:279.2°C
Density:1.23g/cm³
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:313.13140809
Heavy Atom Count:23
Complexity:545

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=C(CC3C2=O)C

Technology Process of ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate

There total 3 articles about ethyl 4-(5-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate 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:

: 41145-18-0
(2,5-dihydroxy-p-phenylene)-di-acetic acid diethyl ester

: 5628-31-9
2,5-Bis-(ethoxycarbonylmethyl)-benzochinon

Guidance literature:: With iron(III) chloride; In ethanol; Heating;
DOI:10.1021/jo01285a049

Reference yield:

: 5628-25-1
2,5-bis(ethoxycarbonylmethyl)-1,4-bismethoxybenzene

: 5628-31-9
2,5-Bis-(ethoxycarbonylmethyl)-benzochinon

Guidance literature:: With nitric acid; In acetic acid;

Reference yield:

: 38439-93-9
(2,5-dimethoxy-p-phenylene)-di-acetonitrile

: 5628-31-9
2,5-Bis-(ethoxycarbonylmethyl)-benzochinon

Guidance literature:: Multi-step reaction with 2 steps

1: (i) KOH, (ii) /BRN= 1718733/, H₂SO₄

2: HNO₃ / acetic acid

With nitric acid; In acetic acid;