R(+)-Butylindazone

Base Information

Chemical Name:R(+)-Butylindazone
CAS No.:81166-47-4
Molecular Formula:C₂₀H₂₄Cl₂O₄
Molecular Weight:399.314
Hs Code.:
DSSTox Substance ID:DTXSID40439113
Wikidata:Q82255002
ChEMBL ID:CHEMBL1256719
Mol file:81166-47-4.mol

Synonyms:R(+)-Butylindazone;R-(+)-DIOA;81166-47-4;R(+)-DIOA;2-[[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl]oxy]acetic acid;R-(+)-Butylindazone;Lopac0_000457;MLS002153191;CHEMBL1256719;(Dihydroindenyl)oxy alkanoic acid;DTXSID40439113;HMS2235L14;HMS3261K16;HMS3374K10;Tox21_500457;CCG-204549;LP00457;SDCCGSBI-0050442.P002;NCGC00093872-01;NCGC00093872-02;NCGC00093872-03;NCGC00093872-05;NCGC00261142-01;SMR000326932;D-129;EU-0100457;R-(+)-DIOA, >=98% (HPLC), solid;SR-01000075313;SR-01000075313-1;(S)-2-(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yloxy)acetic acid

Suppliers and Price of R(+)-Butylindazone

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

TRC
R-(+)-DIOA
1mg
$ 110.00

Sigma-Aldrich
R-(+)-DIOA ≥98% (HPLC), solid
10mg
$ 258.00

Sigma-Aldrich
R-(+)-DIOA ≥98% (HPLC), solid
50mg
$ 1040.00

American Custom Chemicals Corporation
R-(+)-DIOA 95.00%
50MG
$ 1456.52

American Custom Chemicals Corporation
R-(+)-DIOA 95.00%
10MG
$ 763.42

Total 6 raw suppliers

Chemical Property of R(+)-Butylindazone

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:562.151°C at 760 mmHg
Flash Point:293.779°C
PSA：63.60000
Density:1.307g/cm³
LogP:5.56240
Solubility.:H2O: insoluble
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:398.1051646
Heavy Atom Count:26
Complexity:534

Purity/Quality:

98%,99%, ^*data from raw suppliers

R-(+)-DIOA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
Isomeric SMILES:CCCC[C@]1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCC(=O)O)C3CCCC3
Uses R-(+)-DIOA is an inhibitor of the K+/Cl--cotransport that does not affect the bumetanide-Na+/K+/Cl--cotransport system. R-(+)-DIOA has been used as a potassium/chloride K+-Cl- transport inhibitor to study its effects on:short circuit current (Isc) in rat semicircular canal duct (SCCD) epitheliumuptake of grepafloxacin by THP-1 monocytesthe uptake of moxifloxacin by THP-1 monocytes

Technology Process of R(+)-Butylindazone

There total 5 articles about R(+)-Butylindazone 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:

: 54197-02-3
6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-methoxy-1H-inden-1-one

: 81166-47-4,106105-17-3
DIOA

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) NaH / 1.) DMF, C₆H₅CH₃, RT, 2.) DMF, C₆H₅CH₃, 25 deg C, 18 h

2: 92 percent / pyridine hydrochloride / 1.5 h / 195 °C

3: 96 percent / K₂CO₃ / dimethylformamide / 16 h / 50 - 55 °C

4: 96 percent / 6 N aq. HCl, AcOH / 3 h / Heating

5: 5.7 g

With hydrogenchloride; pyridine hydrochloride; sodium hydride; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00347a017

Reference yield:

: 81166-19-0
2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-methoxy-1H-inden-1-one

: 81166-47-4,106105-17-3
DIOA

Guidance literature:: Multi-step reaction with 4 steps

1: 92 percent / pyridine hydrochloride / 1.5 h / 195 °C

2: 96 percent / K₂CO₃ / dimethylformamide / 16 h / 50 - 55 °C

3: 96 percent / 6 N aq. HCl, AcOH / 3 h / Heating

4: 5.7 g

With hydrogenchloride; pyridine hydrochloride; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00347a017

Reference yield:

: 81166-21-4,81166-49-6,81166-50-9
2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-5-hydroxy-1H-inden-1-one

: 81166-47-4,106105-17-3
DIOA

Guidance literature:: Multi-step reaction with 3 steps

1: 96 percent / K₂CO₃ / dimethylformamide / 16 h / 50 - 55 °C

2: 96 percent / 6 N aq. HCl, AcOH / 3 h / Heating

3: 5.7 g

With hydrogenchloride; potassium carbonate; acetic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00347a017