Tdmcpo

Base Information

Chemical Name:Tdmcpo
CAS No.:72007-69-3
Molecular Formula:C₁₈H₁₆O₃
Molecular Weight:280.323
Hs Code.:
DSSTox Substance ID:DTXSID20992690
Wikidata:Q82983040
Mol file:72007-69-3.mol

Synonyms:3,4,15,16-tetrahydro-3,4-dihydroxy-11-methyl-17H-cyclopenta(a)phenanthren-17-one;3,4-dihydroxy-11-methyl-3,4,15,16-tetrahydroxycyclopenta(a)phenanthren-17-one;TDMCPO

Suppliers and Price of Tdmcpo

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

Total 4 raw suppliers

Chemical Property of Tdmcpo

Chemical Property:

Vapor Pressure:2.99E-13mmHg at 25°C
Boiling Point:557.2°C at 760 mmHg
Flash Point:304.8°C
PSA：57.53000
Density:1.405g/cm³
LogP:2.69820
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:280.109944368
Heavy Atom Count:21
Complexity:471

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(CCC2=O)C3=C1C4=C(C=C3)C(C(C=C4)O)O
Isomeric SMILES:CC1=CC2=C(CCC2=O)C3=C1C4=C(C=C3)[C@@H]([C@H](C=C4)O)O

Technology Process of Tdmcpo

There total 14 articles about Tdmcpo 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: 76.0%

: C₃₂H₂₄O₅

: 72007-69-3
trans-3,4-Dihydroxy-15,16-dihydro-11-methylcyclopenta phenanthren-17-one

Guidance literature:: With sodium methylate; In tetrahydrofuran; methanol; Heating;
DOI:10.1021/jo00054a018

Reference yield:

: 145627-72-1
15,16-Dihydro-3-methoxy-11-methylcyclopenta phenanthrene

: 72007-69-3
trans-3,4-Dihydroxy-15,16-dihydro-11-methylcyclopenta phenanthren-17-one

Guidance literature:: Multi-step reaction with 14 steps

1: 64 percent / H₂ / 10 percent Pd/C / ethyl acetate / 16 h / 1654.9 Torr

2: 70 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / acetic acid; H₂O / 24 h / Ambient temperature

3: 75 percent / 10 percent Pd/C / various solvent(s) / 1 h / Heating

4: BBr₃ / CH₂Cl₂ / 2 h / -78 °C

5: pyridine / 5 h

6: 95 percent / NaBH₄ / tetrahydrofuran; methanol / Ambient temperature

7: 85 percent / 4-(N,N-dimethylamino)pyridine, imidazole / CH₂Cl₂ / 5 h / Ambient temperature

8: 96 percent / 0.1 M KOH / tetrahydrofuran; methanol / 3 h / Ambient temperature

9: 82 percent / (SO₃K)2NO, KH₂PO₄, Adogen 464 / benzene / 3 h

10: 99 percent / NaBH₄, O₂ / ethanol / 48 h

11: 100 percent / 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 2 h

12: 45 mg / n-Bu₄NF / 16 h

13: 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / tetrahydrofuran / 15 h / Ambient temperature

14: 76 percent / NaOMe / tetrahydrofuran; methanol / Heating

With pyridine; 1H-imidazole; dmap; potassium hydroxide; sodium tetrahydroborate; potassium dihydrogenphosphate; adogen 464; potassium nitrososulfonate; tetrabutyl ammonium fluoride; hydrogen; oxygen; sodium methylate; boron tribromide; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; acetic acid; ethyl acetate; benzene;
DOI:10.1021/jo00054a018

Reference yield:

: 145628-87-1
3-Methoxy-11-methyl-6,7,15,16-tetrahydrocyclopenta phenanthrene

: 72007-69-3
trans-3,4-Dihydroxy-15,16-dihydro-11-methylcyclopenta phenanthren-17-one

Guidance literature:: Multi-step reaction with 13 steps

1: 70 percent / 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / acetic acid; H₂O / 24 h / Ambient temperature

2: 75 percent / 10 percent Pd/C / various solvent(s) / 1 h / Heating

3: BBr₃ / CH₂Cl₂ / 2 h / -78 °C

4: pyridine / 5 h

5: 95 percent / NaBH₄ / tetrahydrofuran; methanol / Ambient temperature

6: 85 percent / 4-(N,N-dimethylamino)pyridine, imidazole / CH₂Cl₂ / 5 h / Ambient temperature

7: 96 percent / 0.1 M KOH / tetrahydrofuran; methanol / 3 h / Ambient temperature

8: 82 percent / (SO₃K)2NO, KH₂PO₄, Adogen 464 / benzene / 3 h

9: 99 percent / NaBH₄, O₂ / ethanol / 48 h

10: 100 percent / 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 2 h

11: 45 mg / n-Bu₄NF / 16 h

12: 2,3-dichloro-5,6-dicyano-1,4-benzoquinone / tetrahydrofuran / 15 h / Ambient temperature

13: 76 percent / NaOMe / tetrahydrofuran; methanol / Heating

With pyridine; 1H-imidazole; dmap; potassium hydroxide; sodium tetrahydroborate; potassium dihydrogenphosphate; adogen 464; potassium nitrososulfonate; tetrabutyl ammonium fluoride; oxygen; sodium methylate; boron tribromide; 2,3-dicyano-5,6-dichloro-p-benzoquinone; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; acetic acid; benzene;
DOI:10.1021/jo00054a018