Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI)

Base Information

Chemical Name:Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI)
CAS No.:261163-69-3
Molecular Formula:C₁₂H₁₁NO₃
Molecular Weight:217.224
Hs Code.:
DSSTox Substance ID:DTXSID20445055
Mol file:261163-69-3.mol

Synonyms:261163-69-3;3-Hydroxy-7-methyl-2,3-dihydrocyclopenta[b]indole-5,8(1H,4H)-dione;Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl- (9CI);DTXSID20445055

Suppliers and Price of Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI)

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
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price

Total 1 raw suppliers

Chemical Property of Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI)

Chemical Property:

PSA：70.16000
LogP:1.31960
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:401

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)C2=C(C1=O)C3=C(N2)C(CC3)O

Technology Process of Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI)

There total 5 articles about Cyclopent[b]indole-5,8-dione, 1,2,3,4-tetrahydro-3-hydroxy-7-methyl-(9CI) 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: 22.0%

: 67-56-1
methanol

: 261163-67-1
1,4-dihydro-3-hydroxy-7-methyl-8-nitro-(2H)-cyclopent[b]indole

: 261163-68-2
1,4-dihydro-3-methoxy-7-methyl-(2H)-cyclopent[b]indole-5,8-dione

: 261163-69-3
1,4-dihydro-3-hydroxy-7-methyl-(2H)-cyclopent[b]indole-5,8-dione

Guidance literature:: methanol; 1,4-dihydro-3-hydroxy-7-methyl-8-nitro-(2H)-cyclopent[b]indole; With hydrogen; 5percent Pd/C; for 0.5h; under 2585.81 Torr;

With potassium dihydrogenphosphate; potassiuim nitrosodisulfonate; In acetone; for 4.5h; Further stages.;
DOI:10.1021/jm990466w

Reference yield: 16.0%

: 261163-67-1
1,4-dihydro-3-hydroxy-7-methyl-8-nitro-(2H)-cyclopent[b]indole

: 261163-68-2
1,4-dihydro-3-methoxy-7-methyl-(2H)-cyclopent[b]indole-5,8-dione

: 261163-69-3
1,4-dihydro-3-hydroxy-7-methyl-(2H)-cyclopent[b]indole-5,8-dione

Guidance literature:: 1,4-dihydro-3-hydroxy-7-methyl-8-nitro-(2H)-cyclopent[b]indole; 5%-palladium/activated carbon; In methanol; for 0.5h; under 2585.81 Torr;

With potassium dihydrogenphosphate; potassiuim nitrosodisulfonate; In methanol; water; acetone; for 4.5h;

Reference yield:

: 637-60-5,35467-65-3
p-tolylhydrazine hydrochloride

: 261163-69-3
1,4-dihydro-3-hydroxy-7-methyl-(2H)-cyclopent[b]indole-5,8-dione

Guidance literature:: Multi-step reaction with 4 steps

1.1: 16 percent / aq. HCl / ethanol / 3 h / 110 °C

2.1: 70 percent / sulfuric acid; sodium nitrate / 0.25 h / 0 °C

3.1: 84 percent / sodium borohydride / methanol / 0.25 h / 20 °C

4.1: H₂ / 5percent Pd/C / 0.5 h / 2585.81 Torr

4.2: 22 percent / Fremy salt; aq. monobasic potassium phosphate / acetone / 4.5 h

With hydrogenchloride; sodium nitrate; sodium tetrahydroborate; sulfuric acid; hydrogen; 5percent Pd/C; In methanol; ethanol; 1.1: Fischer indole reaction / 2.1: Nitration / 3.1: Reduction / 4.1: Reduction / 4.2: Oxidation;
DOI:10.1021/jm990466w