6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

Base Information

• Chemical Name: 6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol
• CAS No.: 3964-79-2
• Molecular Formula: C20H24 N2 O
• Molecular Weight: 308.423
• European Community (EC) Number: 223-576-7
• DSSTox Substance ID: DTXSID70960263
• Nikkaji Number: J217.796J
• Mol file: 3964-79-2.mol

Synonyms:EINECS 223-576-7;3964-79-2;6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol;6-11-DIHYDRO-11-(1-METHYLPIPERIDIN-4-YL)-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-OL;SCHEMBL8709456;DTXSID70960263;11-(1-Methylpiperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol;5H-Benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, 6,11-dihydro-11-(1-methyl-4-piperidinyl)-;6,11-Dihydro-11-(1-methyl-4-piperidinyl)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

Chemical Property of 6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

Chemical Property:

• Vapor Pressure: 4.84E-09mmHg at 25°C
• Boiling Point: 454.2°Cat760mmHg
• Flash Point: 228.5°C
• PSA: 36.36000
• Density: 1.169g/cm³
• LogP: 2.69580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 308.188863393
• Heavy Atom Count: 23
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)C2(C3=CC=CC=C3CCC4=C2N=CC=C4)O

Technology Process of 6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

There total 7 articles about 6-11-Dihydro-11-(1-methylpiperidin-4-yl)-5H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol 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:

N-tert-butyl-3-methylpyridine-2-carboxamide (32998-95-1) → 11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol (3964-79-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) n-BuLi / 1.) THF, -40 deg C

2: POCl₃ / Heating

3: PPA / Heating

4: tetrahydrofuran / -40 °C

With n-butyllithium; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm00105a069

Reference yield:

3-Phenethyl-pyridine-2-carboxylic acid tert-butylamide → 11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol (3964-79-2)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃ / Heating

2: PPA / Heating

3: tetrahydrofuran / -40 °C

With trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm00105a069

Reference yield:

benzyl chloride (100-44-7) → 11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol (3964-79-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) n-BuLi / 1.) THF, -40 deg C

2: POCl₃ / Heating

3: PPA / Heating

4: tetrahydrofuran / -40 °C

With n-butyllithium; trichlorophosphate; In tetrahydrofuran;

DOI:10.1021/jm00105a069

upstream raw materials:

5,6-Dihydro-11H-benzo<5,6>cyclohepta<1,2-b>pyridin-11-one

(1-methyl-4-piperidyl)magnesium chloride

N-tert-butyl-3-methylpyridine-2-carboxamide

benzyl chloride

Downstream raw materials:

azatadine

desmethylazatadine