3-(Trifluoromethyl)-1H-indene

Base Information

• Chemical Name: 3-(Trifluoromethyl)-1H-indene
• CAS No.: 134391-57-4
• Molecular Formula: C₁₀H₇F₃
• Molecular Weight: 184.161
• Hs Code.: 2903999090
• European Community (EC) Number: 802-877-2
• Nikkaji Number: J408.053J
• Mol file: 134391-57-4.mol

Synonyms:3-(TRIFLUOROMETHYL)-1H-INDENE;134391-57-4;MFCD11226532;AKOS005255616;3-(Trifluoromethyl)-1H-indene, 95%;CS-0359648

Chemical Property of 3-(Trifluoromethyl)-1H-indene

Chemical Property:

• Refractive Index: n20/D1.489
• Flash Point: 70℃
• PSA: 0.00000
• LogP: 3.18840
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 184.04998471
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

3-(Trifluoromethyl)-1H-indene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-36/37/38-52
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=C(C2=CC=CC=C21)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)-1H-indene

There total 7 articles about 3-(Trifluoromethyl)-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: 67.0%

(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol (134418-70-5) → 1-(trifluoromethyl)indene (134391-57-4) + 4,4,4-trifluoro-3-phenyl-2-buten-1-ol (133342-51-5)

Guidance literature:

With sulfuric acid; In various solvent(s); for 3.5h; Ambient temperature;

Reference yield: 53.0%

(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol (134418-70-5) → 1-(trifluoromethyl)indene (134391-57-4)

Guidance literature:

With methanesulfonic acid; at 45 ℃; for 0.166667h;

DOI:10.1021/jo00017a029

Reference yield: 16.0%

(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol (134418-70-5) + acetic acid (64-19-7,77671-22-8) → 1-(trifluoromethyl)indene (134391-57-4) + Acetic acid (Z)-4,4,4-trifluoro-3-phenyl-but-2-enyl ester + Acetic acid (E)-4,4,4-trifluoro-3-phenyl-but-2-enyl ester

Guidance literature:

With sulfuric acid; at 90 ℃; for 1h; Yield given. Title compound not separated from byproducts;

upstream raw materials:

1-(trifluoromethyl)-1-indanol

(R,S)-1,1,1-trifluoro-2-phenyl-but-3-en-2-ol

acetic acid

2,2,2-Trifluoroacetophenone