4-Chloro-2-methyl-1H-indene

Base Information

• Chemical Name: 4-Chloro-2-methyl-1H-indene
• CAS No.: 210628-07-2
• Molecular Formula: C10H9Cl
• Molecular Weight: 164.634
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60475775
• Wikidata: Q82306551
• Mol file: 210628-07-2.mol

Synonyms:4-Chloro-2-methyl-1H-indene;210628-07-2;4-Chloro-2-methylindene;1H-Indene, 4-chloro-2-methyl-;1H-Indene,4-chloro-2-methyl-;2-methyl-4-chloroindene;SCHEMBL1453793;DTXSID60475775;QWJRBTRSAZACSX-UHFFFAOYSA-N;AKOS006287455

Chemical Property of 4-Chloro-2-methyl-1H-indene

Chemical Property:

• Vapor Pressure: 0.0355mmHg at 25°C
• Refractive Index: 1.586
• Boiling Point: 249.8 °C at 760 mmHg
• Flash Point: 85.5 °C
• PSA: 0.00000
• Density: 1.161 g/cm³
• LogP: 3.29940
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 164.0392780
• Heavy Atom Count: 11
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-methyl-1H-indene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C1)C=CC=C2Cl

Technology Process of 4-Chloro-2-methyl-1H-indene

There total 1 articles about 4-Chloro-2-methyl-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:

C10H11ClO (1026384-14-4) → 4(7)-chloro-2-methyl-1(3)H-indene (468756-77-6) + 4-chloro-2-methyl-indene (210628-07-2)

Guidance literature:

toluene-4-sulfonic acid; In toluene; for 2h; Heating / reflux;

Reference yield: 88.0%

4-chloro-2-methyl-indene (210628-07-2) + 2,6-dimethylbenzene boronic acid (100379-00-8) → 2-methyl-4-(2,6-dimethylphenyl)indene

Guidance literature:

With potassium phosphate; palladium diacetate; DavePhos; In toluene; at 95 ℃; for 14h; Product distribution / selectivity;

Reference yield:

HCl(aq) + 4-chloro-2-methyl-indene (210628-07-2) + 1-bromo-3,5-di-tert-butylphenyl magnesium bromide → 4-(3,5-di-tert-butylphenyl)-2-methyl-1H-indene (386267-20-5)

Guidance literature:

NiCl₂(PPh₃)2; In diethyl ether;

upstream raw materials:

C₁₀H₁₁ClO

Downstream raw materials:

4-(3,5-di-tert-butylphenyl)-2-methyl-1H-indene