11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol

Base Information

Chemical Name:11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol
CAS No.:138630-67-8
Molecular Formula:C30H29NO3
Molecular Weight:451.565
Hs Code.:
ChEMBL ID:CHEMBL2112950
DSSTox Substance ID:DTXSID50568680
Nikkaji Number:J464.322D

Synonyms:CHEMBL2112950;138630-67-8;SCHEMBL8966114;DTXSID50568680;SGLLWAFQFIJSAO-UHFFFAOYSA-N;BDBM50230560;11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol;3,9-dihydroxy-11-[4-(2-piperidin-1-ylethoxy)-phenyl]-11H-benzo[a]fluorene

Suppliers and Price of 11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol

Chemical Property:

XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:451.21474379
Heavy Atom Count:34
Complexity:657

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)CCOC2=CC=C(C=C2)C3C4=C(C=CC(=C4)O)C5=C3C6=C(C=C5)C=C(C=C6)O

Technology Process of 11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol

There total 9 articles about 11-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-11H-benzo[a]fluorene-3,9-diol 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: 74.0%

: 138630-81-6
3,9-dimethoxy-11-<4-<2-(1-piperidinyl)ethoxy>phenyl>-11H-benzo fluorene

: 138630-67-8
11-<4-<2-(1-piperidinyl)ethoxy>phenyl>-11H-benzo fluoren-3,9-diol

Guidance literature:: With aluminium trichloride; ethanethiol; In 1,2-dichloro-ethane; at 0 ℃; for 2.5h;
DOI:10.1021/jm00083a019

Reference yield:

: 4181-97-9
phenyl 4-methoxybenzoate

: 138630-67-8
11-<4-<2-(1-piperidinyl)ethoxy>phenyl>-11H-benzo fluoren-3,9-diol

Guidance literature:: Multi-step reaction with 7 steps

1: 57 percent / NaH / tetrahydrofuran / 2.5 h / 20 - 60 °C

2: 83 percent / 4-(dimethylamino)pyridine, triethylamine / CH₂Cl₂

3: tetrahydrofuran; diethyl ether / 1 h / 0 °C

4: 64 percent / EtSH, n-BuLi / tetrahydrofuran; dimethylformamide / 2.5 h / 80 °C

5: 23 percent / methanesulfonic acid / 72 h / Ambient temperature

6: 82 percent / K₂CO₃ / dimethylformamide / 1 h / Heating

7: 74 percent / AlCl₃, EtSH / 1,2-dichloro-ethane / 2.5 h / 0 °C

With dmap; n-butyllithium; aluminium trichloride; methanesulfonic acid; sodium hydride; potassium carbonate; triethylamine; ethanethiol; In tetrahydrofuran; diethyl ether; dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00083a019

Reference yield:

: 2008-75-5
N-chloroethylpiperidine hydrochloride

: 138630-67-8
11-<4-<2-(1-piperidinyl)ethoxy>phenyl>-11H-benzo fluoren-3,9-diol

Guidance literature:: Multi-step reaction with 2 steps

1: 82 percent / K₂CO₃ / dimethylformamide / 1 h / Heating

2: 74 percent / AlCl₃, EtSH / 1,2-dichloro-ethane / 2.5 h / 0 °C

With aluminium trichloride; potassium carbonate; ethanethiol; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00083a019