2-Pentyl-1H-indene

Base Information

• Chemical Name: 2-Pentyl-1H-indene
• CAS No.: 926925-73-7
• Molecular Formula: C₁₄H₁₈
• Molecular Weight: 186.297
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID10593413
• Wikidata: Q82487903
• Mol file: 926925-73-7.mol

Synonyms:2-PENTYL-1H-INDENE;926925-73-7;DTXSID10593413;AKOS006286741;DB-365225

Chemical Property of 2-Pentyl-1H-indene

Chemical Property:

• Boiling Point: 279.9±15.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.946±0.06 g/cm3(Predicted)
• LogP: 4.20640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 186.140850574
• Heavy Atom Count: 14
• Complexity: 202

Purity/Quality:

95% ^*data from raw suppliers

2-Pentyl-1H-indene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC2=CC=CC=C2C1

Technology Process of 2-Pentyl-1H-indene

There total 4 articles about 2-Pentyl-1H-indene 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: 66.0%

C21H26N2O2S → 2-pentyl-1H-indene (926925-73-7)

Guidance literature:

With rhodium (II) octanoate dimer; lithium tert-butoxide; In toluene; at 100 ℃; for 0.5h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201709375

Reference yield:

ortho-bromobenzaldehyde (6630-33-7) → 2-pentyl-1H-indene (926925-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene; ethanol; water / 24 h / Inert atmosphere; Reflux

2: methanol / 12 h / 20 °C

3: rhodium (II) octanoate dimer; lithium tert-butoxide / toluene / 0.5 h / 100 °C / Inert atmosphere; Schlenk technique

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; rhodium (II) octanoate dimer; potassium carbonate; lithium tert-butoxide; In methanol; ethanol; water; toluene; 1: |Suzuki-Miyaura Coupling;

DOI:10.1002/anie.201709375

Reference yield:

(E)-2-(hept-1-en-1-yl)benzaldehyde → 2-pentyl-1H-indene (926925-73-7)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 12 h / 20 °C

2: rhodium (II) octanoate dimer; lithium tert-butoxide / toluene / 0.5 h / 100 °C / Inert atmosphere; Schlenk technique

With rhodium (II) octanoate dimer; lithium tert-butoxide; In methanol; toluene;

DOI:10.1002/anie.201709375

upstream raw materials:

ortho-bromobenzaldehyde

Refernces