(R)-3-Methylisoindolin-1-one

Base Information

• Chemical Name: (R)-3-Methylisoindolin-1-one
• CAS No.: 131615-22-0
• Molecular Formula: C9H9NO
• Molecular Weight: 147.17400
• UNII: 6X2M6E4W4F
• Nikkaji Number: J1.365.332A
• Mol file: 131615-22-0.mol

Synonyms:131615-22-0;(R)-3-Methylisoindolin-1-one;(3R)-2,3-Dihydro-3-methyl-1H-isoindol-1-one;1H-Isoindol-1-one, 2,3-dihydro-3-methyl-, (3R)-;3R-Methyl-2,3-dihydro-isoindol-1-one;6X2M6E4W4F;3-Methylphthalimidine, (3R)-;(3R)-3-METHYL-2,3-DIHYDROISOINDOL-1-ONE;3-Methyl-1-isoindolinone, (3R)-;3-Methyl-1-oxoisoindoline, (3R)-;(3R)-3-methyl-2,3-dihydro-1H-isoindol-1-one;2,3-Dihydro-3-methyl-1H-isoindol-1-one, (3R)-;(3R)-Methyl-2,3-dihydro-isoindol-1-one;UNII-6X2M6E4W4F;3alpha-Methylisoindoline-1-one;SCHEMBL19573959;MFCD12924037;AKOS006350952;AM803153;AS-67381;CS-0186133

Chemical Property of (R)-3-Methylisoindolin-1-one

Chemical Property:

• PSA: 29.10000
• LogP: 1.81980
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

(3r)-2,3-Dihydro-3-Methyl-1h-Isoindol-1-One ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2C(=O)N1
• Isomeric SMILES: C[C@@H]1C2=CC=CC=C2C(=O)N1

Technology Process of (R)-3-Methylisoindolin-1-one

There total 23 articles about (R)-3-Methylisoindolin-1-one 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: 91.0%

2-acetyl-benzoic acid (577-56-0) → (3R)-3-Methyl-2,3-dihydro-1H-isoindol-1-one (131615-22-0)

Guidance literature:

With Ru⁽²⁺⁾*2C₂H₃O₂^(1-)*C₇₇H₁₀₈O₆P₂; ammonium acetate; hydrogen; In 2,2,2-trifluoroethanol; at 90 ℃; for 24h; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.0c00669

Reference yield: 84.0%

(3R,1'R)-3-methyl-2-[2-hydroxy-1-(4-benzyloxyphenyl)ethyl]-2,3-dihydro-1H-isoindolin-1-one (677009-86-8) → (3R)-3-Methyl-2,3-dihydro-1H-isoindol-1-one (131615-22-0)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2003.11.092

Reference yield: 77.0%

(2S,3R)-2-(2-methoxymethylpyrrolidin-1-yl)-3-methyl-2,3-dihydro-1H-isoindol-1-one (604767-04-6) → (3R)-3-Methyl-2,3-dihydro-1H-isoindol-1-one (131615-22-0)

Guidance literature:

With magnesium monoperoxyphthalate hexahydrate; In methanol; at 20 ℃;

DOI:10.1016/S0957-4166(03)00409-9

upstream raw materials:

(R)-(+)-N-(1-phenylethyl)-2,2-dimethylpropanamide

Diethyl carbonate

(2S,3R)-2-(2-methoxymethylpyrrolidin-1-yl)-3-methyl-2,3-dihydro-1H-isoindol-1-one

(3R,1'R)-3-methyl-2-[2-hydroxy-1-(4-benzyloxyphenyl)ethyl]-2,3-dihydro-1H-isoindolin-1-one