1-Propadienyl-4-(propan-2-yl)benzene

Base Information

Chemical Name:1-Propadienyl-4-(propan-2-yl)benzene
CAS No.:200341-09-9
Molecular Formula:C₁₂H₁₄
Molecular Weight:158.243
Hs Code.:
DSSTox Substance ID:DTXSID10442659
Nikkaji Number:J2.899.150I
Mol file:200341-09-9.mol

Synonyms:1-Propadienyl-4-(propan-2-yl)benzene;200341-09-9;1-Isopropyl-4-propadienylbenzene;DTXSID10442659

Suppliers and Price of 1-Propadienyl-4-(propan-2-yl)benzene

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 1 raw suppliers

Chemical Property of 1-Propadienyl-4-(propan-2-yl)benzene

Chemical Property:

PSA：0.00000
LogP:3.60810
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:158.109550447
Heavy Atom Count:12
Complexity:165

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC=C(C=C1)C=C=C

Technology Process of 1-Propadienyl-4-(propan-2-yl)benzene

There total 4 articles about 1-Propadienyl-4-(propan-2-yl)benzene 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: 59.0%

: 925-90-6
ethylmagnesium bromide

: 1-(2,2-dibromocyclopropyl)-4-isopropylbenzene

: 200341-09-9
1-Isopropyl-4-propa-1,2-dienyl-benzene

Guidance literature:: In tetrahydrofuran; diethyl ether; at 20 ℃; Inert atmosphere;
DOI:10.1039/d1cc01750k

Reference yield:

: 18620-03-6
4-isopropylphenylmagnesium bromide

: 106-96-7
propargyl bromide

: 70090-66-3
1-isopropyl-4-prop-2-ynyl-benzene

: 200341-09-9
1-Isopropyl-4-propa-1,2-dienyl-benzene

Guidance literature:: With copper(I) bromide; lithium bromide; In tetrahydrofuran; at -60 - 20 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1080/00397919708005448

Reference yield:

: 2055-40-5
4-isopropylstyrene

: 200341-09-9
1-Isopropyl-4-propa-1,2-dienyl-benzene

Guidance literature:: Multi-step reaction with 2 steps

1: N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide / dichloromethane / 70 °C / Inert atmosphere

2: tetrahydrofuran; diethyl ether / 20 °C / Inert atmosphere

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In tetrahydrofuran; diethyl ether; dichloromethane; 2: |Skatebol Rearrangement;
DOI:10.1039/d1cc01750k