B90102

Base Information

• Chemical Name: B90102
• CAS No.: 127168-89-2
• Molecular Formula: C16H17NO
• Molecular Weight: 239.317
• Hs Code.: 2933990090
• Mol file: 127168-89-2.mol

Synonyms:2-Benzyl-5-methoxyisoindoline;B90102

Chemical Property of B90102

Chemical Property:

• PSA: 12.47000
• LogP: 3.14890
• Storage Temp.: 2-8°C

Purity/Quality:

95+% ^*data from raw suppliers

2-benzyl-5-methoxyisoindoline 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of B90102

There total 4 articles about B90102 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: 88.0%

2-benzyl-5-methoxyisoindoline-1,3-dione (1007455-12-0) → N-benzylisoindolin-5-yl methyl ether (127168-89-2)

Guidance literature:

With 1,1,3,3-Tetramethyldisiloxane; tris(pentafluorophenyl)borate; In 1,4-dioxane; at 110 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tet.2018.01.051

Reference yield: 71.0%

1,2-bis(bromomethyl)-4-methoxybenzene (36132-96-4) + benzylamine (100-46-9) → N-benzylisoindolin-5-yl methyl ether (127168-89-2)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In toluene;

DOI:10.1016/j.bmcl.2007.10.025

Reference yield:

5-methoxyisobenzofuran-1,3-dione (28281-76-7) + benzylamine (100-46-9) → N-benzylisoindolin-5-yl methyl ether (127168-89-2)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 3 h / Reflux; Inert atmosphere; Schlenk technique

2: tris(pentafluorophenyl)borate; 1,1,3,3-Tetramethyldisiloxane / 1,4-dioxane / 16 h / 110 °C / Inert atmosphere; Schlenk technique

With 1,1,3,3-Tetramethyldisiloxane; tris(pentafluorophenyl)borate; acetic acid; In 1,4-dioxane;

DOI:10.1016/j.tet.2018.01.051

upstream raw materials:

2-benzyl-5-methoxyisoindoline-1,3-dione

1,2-bis(bromomethyl)-4-methoxybenzene

benzylamine

5-methoxyisobenzofuran-1,3-dione

Downstream raw materials:

5-methoxy-2,3-dihydro-1H-isoindole

C₁₅H₁₅NO

Refernces

• 1、 -. "ISOINDOLE DERIVATIVES". Page/Page column 22-23. . Retrieved 2010/11/30.
• 2、 Takeuchi, Kumiko,Holloway, William G.,Mitch, Charles H.,Quimby, Steven J.,McKinzie, Jamie H.,Suter, Todd M.,Statnick, Michael A.,Surface, Peggy L.,Emmerson, Paul J.,Thomas, Elizabeth M.,Siegel, Miles G.. "Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2". . p. 6841 - 6846. Retrieved 2008/09/17.