1-methyl-2,3-dihydro-1H-isoindole

Base Information

• Chemical Name: 1-methyl-2,3-dihydro-1H-isoindole
• CAS No.: 127797-12-0
• Molecular Formula: C9H11N
• Molecular Weight: 133.19000
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30560920
• Mol file: 127797-12-0.mol

Synonyms:1-methylisoindoline;127797-12-0;1-methyl-2,3-dihydro-1H-isoindole;1H-Isoindole, 2,3-dihydro-1-methyl-;1-methyl-isoindoline;2,3-dihydro-1-Methyl-1H-Isoindole;methylisoindolin;SCHEMBL873420;DTXSID30560920;CFA79712;AKOS006352521;SB32619;SB32925;SB34269;BS-13352;EN300-97186;Z1203731964

Chemical Property of 1-methyl-2,3-dihydro-1H-isoindole

Chemical Property:

• PSA: 12.03000
• LogP: 2.17960
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98% ^*data from raw suppliers

1-Methyl-2,3-dihydro-1H-isoindole 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2CN1

Technology Process of 1-methyl-2,3-dihydro-1H-isoindole

There total 11 articles about 1-methyl-2,3-dihydro-1H-isoindole 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: 84.0%

tert-Butyl-[1-(1-methyl-1,3-dihydro-isoindol-2-yl)-meth-(E)-ylidene]-amine (127797-20-0) → 1-Methylisoindol (127797-12-0)

Guidance literature:

With acetic acid; hydrazine; In ethanol; water; at 60 ℃;

DOI:10.1016/S0040-4039(00)94570-2

Reference yield:

1,3-dihydro-1-methyl-2-(4-methylphenylsulfonyl)isoindole (405198-92-7) → 1-Methylisoindol (127797-12-0) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

beim Destillieren;

Reference yield:

→ 1-Methylisoindol (127797-12-0)

Guidance literature:

With acetic acid; zinc;

upstream raw materials:

1-chloro-4-methylphthalazine

tert-Butyl-[1-(1-methyl-1,3-dihydro-isoindol-2-yl)-meth-(E)-ylidene]-amine

hydrogenchloride

1-methyl-phthalazine

Downstream raw materials:

1,3-dihydro-1-methyl-2-(4-methylphenylsulfonyl)isoindole

Refernces

• 1、 Beeley,Rockell. "Novel 1-substituted-2,3-dihydro-1H-isoindoles: Synthesis via Meyers' methodology". . p. 417 - 420. Retrieved 2007/10/02.