1-[2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

Base Information

• Chemical Name: 1-[2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine
• CAS No.: 180915-95-1
• Molecular Formula: C23H26 Br N O2
• Molecular Weight: 428.369
• DSSTox Substance ID: DTXSID80572275
• Wikidata: Q82460569
• Mol file: 180915-95-1.mol

Synonyms:180915-95-1;1-[2-[4-(2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;1-{2-[4-(2-BROMO-6-METHOXY-3,4-DIHYDRO-1-NAPHTHYL)PHENOXY]ETHYL}PYRROLIDINE;1-{2-[4-(2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine;SRSIBTJGQWSANT-UHFFFAOYSA-N;SCHEMBL113833;DTXSID80572275

Chemical Property of 1-[2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

Chemical Property:

• PSA: 21.70000
• LogP: 5.20820
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 427.11469
• Heavy Atom Count: 27
• Complexity: 509

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=C(CC2)Br)C3=CC=C(C=C3)OCCN4CCCC4

Technology Process of 1-[2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine

There total 2 articles about 1-[2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine 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: 83.0%

NaHCO3 (aq) + 6-methoxy-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydronaphthalene (180915-94-0) → 1-{2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine (180915-95-1)

Guidance literature:

With pyridinium hydrobromide perbromide; In tetrahydrofuran; dichloromethane;

Reference yield: 83.0%

6-methoxy-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydronaphthalene (180915-94-0) → 1-{2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine (180915-95-1)

Guidance literature:

With pyridinium bromide perbromide; In tetrahydrofuran; for 60h;

Reference yield:

1-{2-[4-(2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine (180915-95-1) + phenylboronic acid (98-80-6) → 1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine hydrochloride (1847-63-8)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; water; for 18h; Heating / reflux;

upstream raw materials:

6-methoxy-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydronaphthalene

Downstream raw materials:

1-{2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine hydrochloride

(5S,6R)-6-Phenyl-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-5,6,7,8-tetrahydro-naphthalen-2-ol

nafoxidine