3,3-Dimethylindoline

Base Information

• Chemical Name: 3,3-Dimethylindoline
• CAS No.: 1914-02-9
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2933990090
• European Community (EC) Number: 833-286-8
• DSSTox Substance ID: DTXSID00473018
• Nikkaji Number: J465.529J
• Wikidata: Q82302195
• Mol file: 1914-02-9.mol

Synonyms:3,3-DIMETHYLINDOLINE;1914-02-9;3,3-DIMETHYL-2,3-DIHYDRO-1H-INDOLE;3,3-dimethyl-1,2-dihydroindole;1H-Indole, 2,3-dihydro-3,3-dimethyl-;MFCD11847210;2,3-DIHYDRO-3,3-DIMETHYL-1H-INDOLE;3-dimethylindoline;3 pound not3-Dimethylindoline;SCHEMBL1031209;DTXSID00473018;SRCCLYMWDRNUAF-UHFFFAOYSA-N;AMY31746;BAA91402;AKOS006237207;DS-6539;PB13437;SY097828;CS-0051621;EN300-60532;A919216

Chemical Property of 3,3-Dimethylindoline

Chemical Property:

• Melting Point: 34 °C
• Boiling Point: 60 °C(Press: 2 Torr)
• PKA: 5.28±0.40(Predicted)
• PSA: 12.03000
• Density: 0.962±0.06 g/cm3(Predicted)
• LogP: 2.52770
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

3,3-Dimethylindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CNC2=CC=CC=C21)C

Technology Process of 3,3-Dimethylindoline

There total 35 articles about 3,3-Dimethylindoline 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: 95.0%

3,3-dimethyloxindole (19155-24-9) → 3,3-dimethylindoline (1914-02-9)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 75 ℃; for 0.75h;

DOI:10.1080/00397919208019273

Reference yield: 94.0%

1-(3,3-dimethylindolin-1-yl)ethan-1-one (16078-32-3) → 3,3-dimethylindoline (1914-02-9)

Guidance literature:

1-(3,3-dimethylindolin-1-yl)ethan-1-one; With hydrogenchloride; In methanol; at 50 ℃; for 16h;

With water; pH=8;

Reference yield: 85.0%

3,3-dimethylindolenine (1504-14-9) → 3,3-dimethylindoline (1914-02-9)

Guidance literature:

With sodium tetrahydroborate; water; sodium hydroxide; In n-heptane; at 10 ℃; for 3h; pH=~ 13;

upstream raw materials:

3,3-dimethylindolenine

2,3-dihydro-1,3,3-trimethylindole

3,3-dimethyloxindole

3,3-dimethyl-2,3-dihydroindol-2-thione

Downstream raw materials:

5,7-dibromo-3,3-dimethyl-indolin-2-one

(2S,3S)-3-(3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-3-(3-fluorophenyl)propane-1,2-diol

(2S,3S)-3-(3,5-difluorophenyl)-3-(3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)propane-1,2-diol

(2S,3S)-3-(3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-3-phenyl-propane-1,2-diol