(3E)-4-(4-Acetylphenyl)-3-buten-2-one

Base Information

Chemical Name:(3E)-4-(4-Acetylphenyl)-3-buten-2-one
CAS No.:115665-94-6
Molecular Formula:C12H12O2
Molecular Weight:188.226
Hs Code.:
DSSTox Substance ID:DTXSID501288438
Nikkaji Number:J1.068.385H,J2.145.579B
Mol file:115665-94-6.mol

Synonyms:115665-94-6;SCHEMBL14016919;DTXSID501288438;(3E)-4-(4-Acetylphenyl)-3-buten-2-one

Suppliers and Price of (3E)-4-(4-Acetylphenyl)-3-buten-2-one

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 (3E)-4-(4-Acetylphenyl)-3-buten-2-one

Chemical Property:

Melting Point:103 °C
Boiling Point:357.5±25.0 °C(Predicted)
PSA：34.14000
Density:1.072±0.06 g/cm3(Predicted)
LogP:2.49140
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:188.083729621
Heavy Atom Count:14
Complexity:245

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (3E)-4-(4-Acetylphenyl)-3-buten-2-one

There total 9 articles about (3E)-4-(4-Acetylphenyl)-3-buten-2-one 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%

: 99-90-1
para-bromoacetophenone

: 78-94-4,25038-87-3
methyl vinyl ketone

: 115665-94-6
(E)-4-(4-acetylphenyl)but-3-en-2-one

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; at 100 ℃; for 18h;
DOI:10.1016/j.tet.2012.02.028

Reference yield: 65.0%

: 350-47-0
1-(4-acetylphenyl)diazonium tetrafluoroborate

: 78-94-4,25038-87-3
methyl vinyl ketone

: 115665-94-6
(E)-4-(4-acetylphenyl)but-3-en-2-one

Guidance literature:: With methanol; calcium carbonate; at 25 ℃; stereoselective reaction;
DOI:10.1002/adsc.200900868

Reference yield: 16.0%

: 13329-40-3
4-Iodoacetophenone

: 78-94-4,25038-87-3
methyl vinyl ketone

: 57918-94-2
4-(4-acetyl-phenyl)-butan-2-one

: 115665-94-6
(E)-4-(4-acetylphenyl)but-3-en-2-one

Guidance literature:: With triethylamine; palladium on activated charcoal; In carbon dioxide; at 80 ℃; for 60h; under 75006 Torr;
DOI:10.1055/s-1999-2599