2,3,5-Trimethyl-1H-indole

Base Information

• Chemical Name: 2,3,5-Trimethyl-1H-indole
• CAS No.: 21296-92-4
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• Hs Code.: 2933990090
• UNII: G0TZ55R5R5
• DSSTox Substance ID: DTXSID60175561
• Nikkaji Number: J46.568B
• Wikidata: Q27278496
• Mol file: 21296-92-4.mol

Synonyms:2,3,5-Trimethyl-1H-indole;2,3,5-Trimethylindole;21296-92-4;1H-Indole, 2,3,5-trimethyl-;INDOLE, 2,3,5-TRIMETHYL-;BRN 0118761;G0TZ55R5R5;UNII-G0TZ55R5R5;SCHEMBL13174592;DTXSID60175561;2,3,5-Trimethyl-1H-indole #;STK026306;AKOS000275068;AC-26883;LS-83431;A26101;5-20-07-00143 (Beilstein Handbook Reference);Q27278496

Chemical Property of 2,3,5-Trimethyl-1H-indole

Chemical Property:

• Vapor Pressure: 0.0024mmHg at 25°C
• Melting Point: 121.5oC
• Refractive Index: 1.6150 (estimate)
• Boiling Point: 297.4°Cat760mmHg
• Flash Point: 126.6°C
• PSA: 15.79000
• Density: 1.056g/cm³
• LogP: 3.09310
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99%, ^*data from raw suppliers

2,3,5-Trimethyl-1H-indole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)NC(=C2C)C

Technology Process of 2,3,5-Trimethyl-1H-indole

There total 1 articles about 2,3,5-Trimethyl-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:

p-toluidine hydrochloride (540-23-8) + p-toluidine (106-49-0,12221-03-3) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,3,5-trimethyl-1H-indole (21296-92-4) + di-p-tolylamine (620-93-9) + N-(2-butenyl)-p-toluidine (4043-69-0) + 2,N-di-but-2-enyl-4-methyl-aniline

Guidance literature:

at 240 ℃;

DOI:10.1039/jr9340001981

Reference yield: 99.0%

2,3,5-trimethyl-1H-indole (21296-92-4) + tert-butyl (4,4-dimethoxycyclohexa-2,5-dien-1-ylidene)carbamate (106501-78-4) → tert-butyl (S)-(4-methoxy-3-(2,3,5-trimethyl-3H-indol-3-yl)phenyl)carbamate

Guidance literature:

With (R)-3,3'-bis(2,4,6-triisopropylphenyl)binol phosphoric acid; In ethyl acetate; at 20 ℃; for 12h; enantioselective reaction; Molecular sieve;

DOI:10.1002/anie.201408551

Reference yield: 99.0%

2,3,5-trimethyl-1H-indole (21296-92-4) + (E)-(naphthalen-2-yldiazenyl)(phenyl)methanone → C28H25N3O

Guidance literature:

With (R)-3,3'-bis(9-anthracenyl)-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; In dichloromethane; at -20 ℃; for 12h; enantioselective reaction;

DOI:10.1038/NCHEM.2866

upstream raw materials:

p-toluidine hydrochloride

p-toluidine

buta-1,3-diene

benzene

Downstream raw materials:

N-(2-acetyl-4-methylphenyl)acetamide

2-amino-5-methyl-acetophenone

(2-iodophenyl)(2,3,5-trimethyl-1H-indol-1-yl)methanone

C₁₈H₁₆BrNO