2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione

Base Information

Chemical Name:2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione
CAS No.:478048-78-1
Molecular Formula:C₁₈H₁₁ClN₂O₃
Molecular Weight:338.75
Hs Code.:
DSSTox Substance ID:DTXSID801153404
ChEMBL ID:CHEMBL2131001
Mol file:478048-78-1.mol

Synonyms:478048-78-1;2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione;2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione;2-{[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione;MLS000326370;2-[[3-(4-Chlorophenyl)-5-isoxazolyl]methyl]-1H-isoindole-1,3(2H)-dione;Oprea1_140907;CHEMBL2131001;DTXSID801153404;HMS2499B12;AKOS005095481;5M-344S;SMR000178973

Suppliers and Price of 2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione

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

American Custom Chemicals Corporation
2-((3-(4-CHLOROPHENYL)-5-ISOXAZOLYL)METHYL)-1H-ISOINDOLE-1,3(2H)-DIONE 95.00%
5MG
$ 687.35

American Custom Chemicals Corporation
2-((3-(4-CHLOROPHENYL)-5-ISOXAZOLYL)METHYL)-1H-ISOINDOLE-1,3(2H)-DIONE 95.00%
10MG
$ 679.14

American Custom Chemicals Corporation
2-((3-(4-CHLOROPHENYL)-5-ISOXAZOLYL)METHYL)-1H-ISOINDOLE-1,3(2H)-DIONE 95.00%
1MG
$ 647.61

Total 0 raw suppliers

Chemical Property of 2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:338.0458199
Heavy Atom Count:24
Complexity:483

Purity/Quality:: 2-((3-(4-CHLOROPHENYL)-5-ISOXAZOLYL)METHYL)-1H-ISOINDOLE-1,3(2H)-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=NO3)C4=CC=C(C=C4)Cl

Technology Process of 2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione

There total 3 articles about 2-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-1H-isoindole-1,3(2H)-dione 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: 96.3%

: 5300-92-5
5-(bromomethyl)-3-(4-chlorophenyl)-isoxazole

: 1074-82-4
potassium phtalimide

: 478048-78-1
C₁₈H₁₁ClN₂O₃

Guidance literature:: In N,N-dimethyl-formamide; at 20 ℃; for 5h;
DOI:10.1021/jf902541w

Reference yield:

: 104-88-1
4-chlorobenzaldehyde

: 478048-78-1
C₁₈H₁₁ClN₂O₃

Guidance literature:: Multi-step reaction with 3 steps

1: hydroxylamine hydrochloride

2: sodium hypochlorite; triethylamine / dichloromethane; water / 0 - 20 °C

3: N,N-dimethyl-formamide / 5 h / 20 °C

With sodium hypochlorite; hydroxylamine hydrochloride; triethylamine; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jf902541w

Reference yield:

: 3848-36-0
4-chlorobenzaldoxime

: 478048-78-1
C₁₈H₁₁ClN₂O₃

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hypochlorite; triethylamine / dichloromethane; water / 0 - 20 °C

2: N,N-dimethyl-formamide / 5 h / 20 °C

With sodium hypochlorite; triethylamine; In dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jf902541w