1-[2-[4-[(19R)-5,15-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]piperidine

Base Information

• Chemical Name: 1-[2-[4-[(19R)-5,15-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]piperidine
• CAS No.: 810668-60-1
• Molecular Formula: C₃₂H₃₅NO₅
• Molecular Weight: 513.634
• DSSTox Substance ID: DTXSID401108352
• Pharos Ligand ID: 8T2F9S4W2QVW
• ChEMBL ID: CHEMBL1085429
• Mol file: 810668-60-1.mol

Synonyms:JNJ-19398990;CHEMBL1085429;D09UQU;DTXSID401108352;BDBM50310424;1-[2-[4-[(12R)-5,12-Dihydro-2,9-dimethoxy-6H-[1]benzopyrano[4,3-d][1]benzoxepin-12-yl]phenoxy]ethyl]piperidine;1-{2-[4-((R)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)-phenoxy]-ethyl}-piperidine;810668-60-1

Chemical Property of 1-[2-[4-[(19R)-5,15-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]piperidine

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 513.25152322
• Heavy Atom Count: 38
• Complexity: 789

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C3=C(C(O2)C4=CC=C(C=C4)OCCN5CCCCC5)C6=C(C=C(C=C6)OC)OCC3
• Isomeric SMILES: COC1=CC2=C(C=C1)C3=C([C@H](O2)C4=CC=C(C=C4)OCCN5CCCCC5)C6=C(C=C(C=C6)OC)OCC3

Technology Process of 1-[2-[4-[(19R)-5,15-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]piperidine

There total 2 articles about 1-[2-[4-[(19R)-5,15-dimethoxy-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaen-19-yl]phenoxy]ethyl]piperidine 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:

5S-(-)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine (554431-76-4) → 5RS-(+)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine (810668-60-1) + C32H35NO5

Guidance literature:

With hydrogenchloride; In ethanol; at 28 ℃; for 76h; Inert atmosphere; Reflux;

DOI:10.1021/op800237y

Reference yield:

5R-(+)-[4-(2-piperidin-1-yl-ethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol (554431-74-2) + diazomethyl-trimethyl-silane (18107-18-1) → 5RS-(+)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine (810668-60-1)

Guidance literature:

In methanol; hexane; acetonitrile;

DOI:10.1021/jm900146e

Reference yield:

5RS-(+)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine (810668-60-1) → 5S-(-)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine (554431-76-4) + C32H35NO5

Guidance literature:

With hydrogenchloride; In ethanol; at 28 ℃; for 72h; Inert atmosphere; Reflux;

DOI:10.1021/op800237y

upstream raw materials:

5S-(-)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine

5R-(+)-[4-(2-piperidin-1-yl-ethoxy)phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol

diazomethyl-trimethyl-silane

Downstream raw materials:

5S-(-)-1-{2-[4-(2,8-dimethoxy-11,12-dihydro-5H-6,13-dioxabenzo[3,4]cyclohepta[1,2-a]naphthalen-5-yl)phenoxy]ethyl}piperidine