(E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene

Base Information

Chemical Name:(E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene
CAS No.:98451-41-3
Molecular Formula:C10H9F
Molecular Weight:148.18
Hs Code.:
DSSTox Substance ID:DTXSID001275357
Nikkaji Number:J1.036.289J
Mol file:98451-41-3.mol

Synonyms:98451-41-3;(E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene;SCHEMBL18255133;DTXSID001275357;1-(1E)-1,3-Butadien-1-yl-3-fluorobenzene

Suppliers and Price of (E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 0 raw suppliers

Chemical Property of (E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene

Chemical Property:

PSA：0.00000
LogP:3.02490
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:148.068828449
Heavy Atom Count:11
Complexity:149

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C=CC=CC1=CC(=CC=C1)F
Isomeric SMILES:C=C/C=C/C1=CC(=CC=C1)F

Technology Process of (E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene

There total 3 articles about (E)-1-(Buta-1,3-dien-1-yl)-3-fluorobenzene 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: 94.0%

: 156700-98-0
C₁₀H₉F

: 98451-41-3
(E)-1-(buta-1,3-dien-1-yl)-3-fluorobenzene

Guidance literature:: With C₂₉H₂₇N₂OP; sodium triethylborohydride; cobalt(II) chloride; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1021/acs.joc.1c03164

Reference yield: 92.0%

: 42291-83-8,56578-38-2
(E)-3-(3-fluorophenyl)acrylaldehyde

: 1779-49-3
Methyltriphenylphosphonium bromide

: 98451-41-3
(E)-1-(buta-1,3-dien-1-yl)-3-fluorobenzene

Guidance literature:: Methyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube;

(E)-3-(3-fluorophenyl)acrylaldehyde; In tetrahydrofuran; at 20 ℃; for 12h; Inert atmosphere; Sealed tube;
DOI:10.1002/cjoc.201800149

Reference yield:

: 1560-54-9
allyltriphenylphosphonium bromide

: 456-48-4
3-Fluorobenzaldehyde

: 1-(buta-1,3-dien-1-yl)-3-fluorobenzene

: 98451-41-3
(E)-1-(buta-1,3-dien-1-yl)-3-fluorobenzene

Guidance literature:: triphenyl(prop-2-en-1-yl)phosphonium bromide; With potassium-t-butoxide; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

3-Fluorobenzaldehyde; In tetrahydrofuran; for 0.166667h; Overall yield = 66 percent; Overall yield = 2.02 g; Inert atmosphere;
DOI:10.1021/acs.joc.1c03164