4-(2,6-Dichlorophenyl)-1-butene

Base Information

• Chemical Name: 4-(2,6-Dichlorophenyl)-1-butene
• CAS No.: 117269-67-7
• Molecular Formula: C10H10Cl2
• Molecular Weight: 201.095
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30557638
• Wikidata: Q82439599
• Mol file: 117269-67-7.mol

Synonyms:4-(2,6-DICHLOROPHENYL)-1-BUTENE;117269-67-7;2-but-3-enyl-1,3-dichlorobenzene;MFCD09801251;SCHEMBL10325016;DTXSID30557638;AKOS016016952;2-(But-3-en-1-yl)-1,3-dichlorobenzene;Benzene, 2-(3-buten-1-yl)-1,3-dichloro-

Chemical Property of 4-(2,6-Dichlorophenyl)-1-butene

Chemical Property:

• Vapor Pressure: 0.0471mmHg at 25°C
• Boiling Point: 244.6°C at 760 mmHg
• Flash Point: 91.4°C
• PSA: 0.00000
• Density: 1.153g/cm³
• LogP: 4.11200
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 200.0159557
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

97% ^*data from raw suppliers

4-(2,6-Dichlorophenyl)-1-butene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCC1=C(C=CC=C1Cl)Cl

Technology Process of 4-(2,6-Dichlorophenyl)-1-butene

There total 3 articles about 4-(2,6-Dichlorophenyl)-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:

Allyl acetate (591-87-7) + 2,6-dichlorobenzaldehyde hydrazone (59714-30-6) → 2-(but-3-en-1-yl)-1,3-dichlorobenzene (117269-67-7)

Guidance literature:

Allyl acetate; With bis(η3-allyl-μ-chloropalladium(II)); Tri(p-tolyl)phosphine; In tetrahydrofuran; for 0.5h; Schlenk technique; Sealed tube; Inert atmosphere;

2,6-dichlorobenzaldehyde hydrazone; With lithium tert-butoxide; In tetrahydrofuran; at 45 ℃; for 24h; chemoselective reaction; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201809112

Reference yield:

2,6-dichlorobenzaldehyde (83-38-5) → 2-(but-3-en-1-yl)-1,3-dichlorobenzene (117269-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrazine hydrate / tetrahydrofuran / 50 °C / Sealed tube; Inert atmosphere

2.1: bis(η3-allyl-μ-chloropalladium(II)); Tri(p-tolyl)phosphine / tetrahydrofuran / 0.5 h / Schlenk technique; Sealed tube; Inert atmosphere

2.2: 24 h / 45 °C / Schlenk technique; Sealed tube; Inert atmosphere

With bis(η3-allyl-μ-chloropalladium(II)); hydrazine hydrate; Tri(p-tolyl)phosphine; In tetrahydrofuran;

DOI:10.1002/anie.201809112

Reference yield:

(2,6-dichlorobenzyl)zinc(II) bromide (117269-75-7) + allyl bromide (106-95-6) → 2-(but-3-en-1-yl)-1,3-dichlorobenzene (117269-67-7)

Guidance literature:

With lithium chloride; Yield given. Multistep reaction; 1.) THF, from -70 to -20 deg C, 5 min, 2.) a) THF, from -70 to 0 deg C, 3 h, b) 0 deg C, 5 min;

DOI:10.1021/jo00259a038

upstream raw materials:

(2,6-dichlorobenzyl)zinc(II) bromide

allyl bromide

2,6-dichlorobenzaldehyde

Allyl acetate

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