5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate

Base Information

• Chemical Name: 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate
• CAS No.: 955360-14-2
• Molecular Formula: C₂₁H₃₅NO₄S
• Molecular Weight: 397.579
• Mol file: 955360-14-2.mol

Synonyms:5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate

Chemical Property of 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate

There total 4 articles about 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate 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: 100.0%

5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol (955360-13-1) + methanesulfonyl chloride (124-63-0) → 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate (955360-14-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm1013874

Reference yield:

1-(3-hydroxypropyl)hexahydro-1H-azepine (29194-89-6) → 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate (955360-14-2)

Guidance literature:

Multi-step reaction with 3 steps

1: di-tert-butyl-diazodicarboxylate; triphenylphosphine / tetrahydrofuran / -20 - 75 °C

2: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 0.27 h / Inert atmosphere

3: N-ethyl-N,N-diisopropylamine / dichloromethane / 3 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; di-tert-butyl-diazodicarboxylate; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In tetrahydrofuran; diethyl ether; dichloromethane; 1: Mitsunobu reaction;

DOI:10.1021/jm1013874

Reference yield:

methyl 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentanoate (955360-12-0) → 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentyl methanesulfonate (955360-14-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran; diethyl ether / 0.27 h / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 3 h / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1021/jm1013874

upstream raw materials:

5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)-1-pentanol

methanesulfonyl chloride

1-(3-hydroxypropyl)hexahydro-1H-azepine

methyl 5-(4-[3-(hexahydro-1H-azepin-1-yl)propoxy]phenyl)pentanoate