2,3,3,5-Tetramethyl-3h-indole

Base Information

• Chemical Name: 2,3,3,5-Tetramethyl-3h-indole
• CAS No.: 25981-82-2
• Deprecated CAS: 2387965-81-1
• Molecular Formula: C12H15N
• Molecular Weight: 173.258
• Hs Code.: 2933990090
• European Community (EC) Number: 688-344-3
• DSSTox Substance ID: DTXSID2067169
• Nikkaji Number: J422.175C
• Wikidata: Q72507651
• Mol file: 25981-82-2.mol

Synonyms:2,3,3,5-tetramethyl-3h-indole;25981-82-2;2,3,3,5-Tetramethylindolenine;2,3,3,5-tetramethylindole;3H-Indole, 2,3,3,5-tetramethyl-;SCHEMBL101511;DTXSID2067169;2,3,3,5-tetramethyl-3h-indol;2,3,3,5-Tetramethyl-3-H-indole;MFCD03093020;AKOS000270695;AC-28903;AS-60728;FT-0613968;T3458;VU0549318-1;D92702;A818130;F9995-0208

Chemical Property of 2,3,3,5-Tetramethyl-3h-indole

Chemical Property:

• Appearance/Colour: oil-like liquid
• Vapor Pressure: 0.0361mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 249.5±40.0 °C at 760 mmHg
• PKA: 6.55±0.40(Predicted)
• Flash Point: 96.3±28.2 °C
• PSA: 12.36000
• Density: 1.0±0.1 g/cm³
• LogP: 2.81420
• Storage Temp.: 2-8°C
• Water Solubility.: Sparingly soluble in water.(0.26 g/L) (25°C),
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.120449483
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

2,3,3,5-Tetramethylindolenine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(C2(C)C)C
• Uses: 2,3,3,5-Tetramethyl-3H-indole is used as a reactant in the preparation of cyanine borate salts.

Technology Process of 2,3,3,5-Tetramethyl-3h-indole

There total 7 articles about 2,3,3,5-Tetramethyl-3h-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: 94.0%

3-methyl-butan-2-one (563-80-4) + p-tolylhydrazine hydrochloride (637-60-5,35467-65-3) → 2,3,3,5-tetramethyl-3H-indole (25981-82-2)

Guidance literature:

In acetic acid; for 3h; Reflux;

DOI:10.1039/c3cc42396d

Reference yield:

→ 2,3,3,5-tetramethyl-3H-indole (25981-82-2)

Guidance literature:

With ethanol; zinc(II) chloride; Zersetzen des entstandenen Salzes durch Kalilauge;

Reference yield:

3-methyl-butan-2-one (563-80-4) + N-4-methylphenylhydrazine (539-44-6) → 2,3,3,5-tetramethyl-3H-indole (25981-82-2)

Guidance literature:

Behandeln des Reaktionsprodukts mit Zinnchloruer und Salzsaeure in Alkohol und Zersetzen des entstandenen Zinndoppelsalzes durch Kalilauge;

upstream raw materials:

3-methyl-butan-2-one

N-4-methylphenylhydrazine

p-tolylhydrazine hydrochloride

N-(1,2-dimethyl-propylidene)-N'-p-tolyl-hydrazine

Downstream raw materials:

2,3,3,5-tetramethyl-1-(2-cyanobenzyl)-3H-indolium bromide

1-benzyl-3,7,9,9,9a-pentamethyl-1,2,3,9a-tetrahydro-9H-imidazo[1,2-a]indol-2-one

2-methylene-3,3,5-trimethyl-1-(2-cyanobenzyl)-2,3-dihydro-1H-indole

8,10,10-trimethyl-10a-(4-dimethylaminostyryl)-1,2,3,4,10,10a-hexahydropyrimido<1,2-a>indol-2-ones

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