4-[(4-Trifluoromethyl)phenyl]-1-butene

Base Information

• Chemical Name: 4-[(4-Trifluoromethyl)phenyl]-1-butene
• CAS No.: 113170-92-6
• Molecular Formula: C11H11F3
• Molecular Weight: 200.20000
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30600234
• Nikkaji Number: J1.164.505D
• Wikidata: Q82496210
• Mol file: 113170-92-6.mol

Synonyms:4-[(4-Trifluoromethyl)phenyl]-1-butene;113170-92-6;1-but-3-enyl-4-(trifluoromethyl)benzene;MFCD09801116;1-(But-3-en-1-yl)-4-(trifluoromethyl)benzene;4-[(4-TRIFLUOROMETHYL)PHENYL]-1-BUTENE,97%;SCHEMBL8803722;DTXSID30600234;WLTJXTKMSCNQRQ-UHFFFAOYSA-N;AKOS016016850;1-But-3-enyl-4-trifluoromethyl-benzene;1-(3-Buten-1-Yl)-4-(Trifluoromethyl)Benzene

Chemical Property of 4-[(4-Trifluoromethyl)phenyl]-1-butene

Chemical Property:

• Vapor Pressure: 0.593mmHg at 25°C
• Boiling Point: 195.2oC at 760 mmHg
• Flash Point: 62.6oC
• PSA: 0.00000
• Density: 1.088g/cm3
• LogP: 3.82400
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.08128484
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

4-[(4-Trifluoromethyl)phenyl]-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=CC=C(C=C1)C(F)(F)F

Technology Process of 4-[(4-Trifluoromethyl)phenyl]-1-butene

There total 10 articles about 4-[(4-Trifluoromethyl)phenyl]-1-butene 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: 93.0%

4-bromomethyltrifluoromethylbenzene (402-49-3) + allylmagnesium bromide (1730-25-2) → 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene (113170-92-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/ol500218p

Reference yield: 88.0%

allylmagnesium bromide (2622-05-1) + 4-trifluoromethylbenzyl chloride (939-99-1) → 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene (113170-92-6)

Guidance literature:

In diethyl ether; for 16h; Heating;

DOI:10.1139/cjc-77-5-6-1123

Reference yield: 85.0%

allyltributylstanane (24850-33-7) + 4-bromomethyltrifluoromethylbenzene (402-49-3) → 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene (113170-92-6)

Guidance literature:

With chloro(dimethylsulfide) gold(I); In neat (no solvent); at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/anie.201902352

upstream raw materials:

allylmagnesium bromide

4-trifluoromethylbenzyl chloride

4-bromomethyltrifluoromethylbenzene

allylmagnesium bromide

Downstream raw materials:

(E)-4-(4-trifluoromethylphenyl)but-3-en-2-one

4-(4-trifluoromethylphenyl)but-3-en-2-one

C₂₃H₂₁F₃N₂O₄S₃

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