1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine]

Base Information

• Chemical Name: 1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine]
• CAS No.: 69584-91-4
• Molecular Formula: C13H18N2
• Molecular Weight: 202.299
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL4902274
• DSSTox Substance ID: DTXSID20510212
• Wikidata: Q82368354
• Mol file: 69584-91-4.mol

Synonyms:69584-91-4;1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine];1'-Methylspiro[indoline-3,4'-piperidine];1'-methylspiro[1,2-dihydroindole-3,4'-piperidine];1'-methyl-1,2-dihydrospiro[indole-3,4'-piperidine];1,2-Dihydro-1'-methylspiro-[3H-indole-3,4'-piperidine];1'-methylspiro(indoline-3,4'-piperidine);Spiro[3H-indole-3,4'-piperidine], 1,2-dihydro-1'-methyl-;SCHEMBL1670650;CHEMBL4902274;DTXSID20510212;NPUZJRBPYOYUMS-UHFFFAOYSA-N;MFCD12198567;AKOS015851035;CS-W021363;FS-2765;SB64056;AM804241;A849127;1'-Methylspiro[indoline-3 pound not4'-piperidine];1,2-Dihydro-1`-methylspiro[3H-indole-3,4`-piperidine];1'-methyl-1,2-dihydro-spiro[3H-indole-3,4'-piperdine];1'-methyl-1,2-dihydro-spiro[3h-indole-3,4'-piperidine];1'-Methyl-spiro[2,3-dihydro-1H-indole-3,4'-piperidine];1,2-dihydro-1'-methyl-spiro[3H-indole-3,4'-piperidine]

Chemical Property of 1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine]

Chemical Property:

• Boiling Point: 332.7oC at 760 mmHg
• Flash Point: 149.4oC
• PSA: 15.27000
• Density: 1.11g/cm3
• LogP: 1.67910
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 202.146998583
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

1,2-Dihydro-1''-methylspiro[3h-indole-3,4''-piperidine] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2(CC1)CNC3=CC=CC=C23
• Uses: 1,2-Dihydro-1''-methylspiro[3h-indole-3,4''-piperidine]

Technology Process of 1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine]

There total 6 articles about 1,2-Dihydro-1'-methylspiro[3H-indole-3,4'-piperidine] 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: 92.0%

4-(2-fluorophenyl)-1-methylpiperidine-4-carbonitrile (69584-88-9) → 1’-methyl-1,2-dihydrospiro-[indole-3,4’-piperidine] (69584-91-4)

Guidance literature:

With lithium aluminium tetrahydride; lithium triethoxyaluminum hydride; In 1,2-dimethoxyethane; for 72h; Heating;

DOI:10.1021/jm00361a009

Reference yield: 80.0%

(4-(2-fluorophenyl)-1-methylpiperidin-4-yl) methanamine (85422-39-5) → 1’-methyl-1,2-dihydrospiro-[indole-3,4’-piperidine] (69584-91-4)

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.2174/1570180817999201117150714

Reference yield: 50.0%

4-(2-fluorophenyl)-1-methylpiperidine-4-carbonitrile (69584-88-9) → 1’-methyl-1,2-dihydrospiro-[indole-3,4’-piperidine] (69584-91-4) + (4-(2-fluorophenyl)-1-methylpiperidin-4-yl) methanamine (85422-39-5)

Guidance literature:

With lithium aluminium tetrahydride; In 1,2-dimethoxyethane; for 64h; Heating;

DOI:10.1021/jm00361a009

upstream raw materials:

4-(2-fluorophenyl)-1-methylpiperidine-4-carbonitrile

2-fluorophenyl acetonitrile

mechlorethamine hydrochloride

benzyl 1-(methylsulfonyl)spiro[indoline-3,4’-piperidine]-1‘-carboxylate

Downstream raw materials:

1-(4-fluorophenyl)-1'-methylspiro[indoline-3,4'-piperidine]

1-(4-chlorophenyl)-1'-methylspiro[indoline-3,4'-piperidine]

C₂₀H₂₁F₃N₂

1-benzyloxycarbonyl-1'-methylspiro(indoline-3,4'-piperidine)