1-benzyl-2-methyl-2,3-dihydro-1H-indole

Base Information

• Chemical Name: 1-benzyl-2-methyl-2,3-dihydro-1H-indole
• CAS No.: 954-89-2
• Molecular Formula: C16H17N
• Molecular Weight: 223.318
• DSSTox Substance ID: DTXSID70441087
• Nikkaji Number: J1.293.006B
• Mol file: 954-89-2.mol

Synonyms:1-benzyl-2-methyl-2,3-dihydro-1H-indole;954-89-2;1-Benzyl-2-methylindoline;1h-indole,2,3-dihydro-2-methyl-1-(phenylmethyl)-;SCHEMBL4418509;DTXSID70441087;BVGOMGPQBZIBSA-UHFFFAOYSA-N

Chemical Property of 1-benzyl-2-methyl-2,3-dihydro-1H-indole

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 223.136099547
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=CC=CC=C2N1CC3=CC=CC=C3

Technology Process of 1-benzyl-2-methyl-2,3-dihydro-1H-indole

There total 7 articles about 1-benzyl-2-methyl-2,3-dihydro-1H-indole 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: 99.0%

benzyl bromide (100-39-0) + 2-methyl indoline (6872-06-6) → 2-methyl-1-benzylindoline (954-89-2)

Guidance literature:

2-methyl indoline; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.25h; Inert atmosphere; Schlenk technique; Glovebox;

benzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1002/anie.201606426

Reference yield: 87.0%

benzaldehyde (100-52-7) + 2-methyl indoline (6872-06-6) → 2-methyl-1-benzylindoline (954-89-2)

Guidance literature:

With formic acid; C₁₈H₂₄Cl₂IrN₃; In water; at 20 ℃; for 12h; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.202001097

Reference yield: 78.0%

N-allyl-N-benzylaniline (31930-96-8) → 2-methyl-1-benzylindoline (954-89-2)

Guidance literature:

Zn⁽²⁺⁾ montmorillonite; for 0.0666667h; microwave irradiation;

upstream raw materials:

N-allyl-N-benzylaniline

benzyl chloride

benzyl bromide

2-methyl indoline

Downstream raw materials:

1-benzyl-2-methyl-1H-indole