3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid

Base Information

Chemical Name:3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
CAS No.:313653-93-9
Molecular Formula:C₂₅H₁₇NO₄
Molecular Weight:395.414
Hs Code.:
DSSTox Substance ID:DTXSID801120221
Nikkaji Number:J435.622E
Mol file:313653-93-9.mol

Synonyms:313653-93-9;MFCD00339837;3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid;3-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid;CBDivE_012222;ChemDiv1_020468;3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid;SCHEMBL18239052;HMS645C08;DTXSID801120221;STK246979;AKOS000366910;AKOS017259355;CCG-105334;3-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzoic acid;LS-05808;CS-0270365;SR-01000418314;SR-01000418314-1;Z56759649;F0827-0030;3-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)benzoic acid;3-((9R,10S,11S,15R)-12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)benzoic acid;3-(1,3,3a,4,9,9a-Hexahydro-1,3-dioxo-4,9[1',2']-benzeno-2H-benz[f]isoindol-2-yl)benzoic acid;3-(16,18-dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]-nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid;3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoicacid;3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0>2,7>.0>9,14>.0>15,19>]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid (non-preferred name);3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid (non-preferred name);3-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}benzoic acid;9,10-Dihydro-13-(3-carboxyphenyl)-9,10-[3,4]-endo-[1H]pyrroloanthracene-12,14(11H,15H)-dione

Suppliers and Price of 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid

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

Matrix Scientific
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
5g
$ 483.00

Matrix Scientific
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
1g
$ 158.00

Matrix Scientific
3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
500mg
$ 126.00

Total 2 raw suppliers

Chemical Property of 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:395.11575802
Heavy Atom Count:30
Complexity:694

Purity/Quality:

98%min ^*data from raw suppliers

3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O

Technology Process of 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid

There total 3 articles about 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid 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: 95.0%

: 5443-16-3,103515-22-6
cis-9,10-Dihydro-9,10-ethanoanthracen-11,12-dicarbonsaeureanhydrid

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 313653-93-9
3-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)benzoic acid

Guidance literature:: With acetic acid; Reflux;
DOI:10.1016/j.ejmech.2020.112621

Reference yield: 70.0%

: 103515-22-6
dibenzobarallene

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 137093-20-0,313653-93-9
C₂₅H₁₇NO₄

Guidance literature:: In N,N-dimethyl-formamide; Heating;
DOI:10.1021/jo00026a018

Reference yield:

: 120-12-7
anthracene

: 313653-93-9
3-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 5,5-dimethyl-1,3-cyclohexadiene / 140 - 143 °C

2: acetic acid / Reflux

With acetic acid; In 5,5-dimethyl-1,3-cyclohexadiene;
DOI:10.1016/j.ejmech.2020.112621