3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

Base Information

Chemical Name:3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
CAS No.:89446-98-0
Molecular Formula:C₁₅H₁₃NO₄
Molecular Weight:271.273
Hs Code.:
DSSTox Substance ID:DTXSID10386302
ChEMBL ID:CHEMBL1328921
Mol file:89446-98-0.mol

Synonyms:89446-98-0;3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid;3-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoic acid;3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid;Oprea1_263876;MLS000123688;IFLab1_005162;SCHEMBL9240440;CHEMBL1328921;DTXSID10386302;HMS1426K14;HMS2470G21;3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-benzoic acid;STK268189;AKOS000141450;AKOS016129325;CCG-202897;SDCCGMLS-0065590.P001;SMR000124297;CS-0319192;EU-0099860;F1189-0029;3-(1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-2-yl)benzoic acid;2-ethyl-N-(2-methoxyphenyl)-5-[5-(trifluoromethyl)isoxazol-3-yl]benzenesulfonamide

Suppliers and Price of 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-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-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid
500mg
$ 95.00

American Custom Chemicals Corporation
3-(1,3-DIOXO-1,3,3A,4,7,7A-HEXAHYDRO-2H-ISOINDOL-2-YL)BENZOIC ACID 95.00%
500MG
$ 681.45

Total 4 raw suppliers

Chemical Property of 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

Chemical Property:

PSA：74.68000
LogP:1.90540
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:271.08445790
Heavy Atom Count:20
Complexity:458

Purity/Quality:

98%min ^*data from raw suppliers

3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Technology Process of 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoic acid

There total 3 articles about 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-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: 60.0%

: 7151-24-8
N-Hydroxy-cis-4-cyclohexene-1,2-dicarboximide

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

: 89446-98-0
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-benzoic acid

Guidance literature:: In acetic acid; for 5h; Heating;

Reference yield:

: 85-43-8
1,2,3,6-Tetrahydrophthalic anhydride

: 89446-98-0
3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / hydroxylamine hydrochloride, pyridine / toluene / 0.25 h / Heating

2: 60 percent / acetic acid / 5 h / Heating

With pyridine; hydroxylamine hydrochloride; In acetic acid; toluene;