1-Isopropyl-1H-indole-3-carbaldehyde

Base Information

• Chemical Name: 1-Isopropyl-1H-indole-3-carbaldehyde
• CAS No.: 151409-84-6
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.241
• Hs Code.: 2933990090
• European Community (EC) Number: 868-707-4
• DSSTox Substance ID: DTXSID50355456
• Nikkaji Number: J2.217.196H
• Wikidata: Q82134367
• Mol file: 151409-84-6.mol

Synonyms:1-Isopropyl-1H-indole-3-carbaldehyde;151409-84-6;1-propan-2-ylindole-3-carbaldehyde;1-(propan-2-yl)-1H-indole-3-carbaldehyde;1H-Indole-3-carboxaldehyde,1-(1-methylethyl)-;SCHEMBL1871346;DTXSID50355456;MFCD02629696;STK321138;AKOS000100226;AT26603;1-Isopropyl-1 H -indole-3-carbaldehyde;LS-01052;BB 0217315;FT-0643471;EN300-359875;1-Isopropyl-1H-indole-3-carbaldehyde, AldrichCPR;Z57453400

Chemical Property of 1-Isopropyl-1H-indole-3-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.000227mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 325.6 °C at 760 mmHg
• Flash Point: 150.7 °C
• PSA: 22.00000
• Density: 1.06 g/cm³
• LogP: 3.03470
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

1-Isopropyl-1H-indole-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C(C2=CC=CC=C21)C=O

Technology Process of 1-Isopropyl-1H-indole-3-carbaldehyde

There total 7 articles about 1-Isopropyl-1H-indole-3-carbaldehyde 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: 90.0%

Indole-3-carboxaldehyde (487-89-8,1228547-52-1) + isopropyl chloride (75-29-6) → 1-isopropyl-1H-indole-3-carbaldehyde (151409-84-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 2h; Heating;

DOI:10.1021/jm00051a007

Reference yield: 72.0%

1-isopropyl-1H-indole (16885-99-7) + trimethylamine (75-50-3) → 1-isopropyl-1H-indole-3-carbaldehyde (151409-84-6)

Guidance literature:

With tetrabutyl ammonium fluoride; water; at 80 ℃; for 24h; Electrolysis; Inert atmosphere; Green chemistry;

DOI:10.1039/d1gc00661d

Reference yield: 71.0%

1-isopropyl-1H-indole (16885-99-7) + N,N,N,N,-tetramethylethylenediamine (110-18-9) → 1-isopropyl-1H-indole-3-carbaldehyde (151409-84-6)

Guidance literature:

With water; oxygen; rose bengal; potassium iodide; In acetonitrile; at 60 ℃; for 48h; Irradiation;

DOI:10.1021/cs5005129

upstream raw materials:

Indole-3-carboxaldehyde

isopropyl chloride

indole

2-iodo-propane

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