3-(2-Furyl)acrylophenone

Base Information

• Chemical Name: 3-(2-Furyl)acrylophenone
• CAS No.: 717-21-5
• Molecular Formula: C13H10 O2
• Molecular Weight: 198.221
• Hs Code.: 2932190090
• European Community (EC) Number: 211-940-8
• NSC Number: 2049
• DSSTox Substance ID: DTXSID301032005
• Nikkaji Number: J417.084I,J55.144I
• Wikidata: Q76304728
• ChEMBL ID: CHEMBL2236635
• Mol file: 717-21-5.mol

Synonyms:717-21-5;3-(2-Furyl)acrylophenone;(2E)-3-(2-furyl)-1-phenylprop-2-en-1-one;Furfurylideneacetophenone;2-Propen-1-one, 3-(2-furanyl)-1-phenyl-;ACRYLOPHENONE, 3-(2-FURYL)-;(E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one;3-(furan-2-yl)-1-phenylprop-2-en-1-one;NSC 2049;EINECS 211-940-8;BRN 0134154;3-(2-Furanyl)-1-phenyl-2-propen-1-one;AI3-04601;MFCD00136235;(2E)-3-(furan-2-yl)-1-phenylprop-2-en-1-one;5-17-10-00371 (Beilstein Handbook Reference);NSC2049;omega-Furfuralacetophenone;SCHEMBL979281;2-Propen-1-one, 3-(2-furanyl)-1-phenyl-, (2E)-;SCHEMBL8290646;CHEMBL2236635;BVAGSGSYUAOFPJ-CMDGGOBGSA-N;DTXSID301032005;(E)-beta-(2-Furanyl)acrylophenone;NSC-2049;GEO-03836;STK523262;AKOS003632748;NCGC00338677-01;3-(2-furyl)-1-phenyl-2-propen-1-one;LS-03558;3-(Fur-2-yl)-1-phenylprop-2-en-1-one;3-(2-Furyl)-1-phenyl-2-propen-1-one #;(2E)-3-(2-Furyl)-1-phenyl-2-propen-1-one;AB01330786-02;SR-01000391649;SR-01000391649-1

Chemical Property of 3-(2-Furyl)acrylophenone

Chemical Property:

• Vapor Pressure: 0.000138mmHg at 25°C
• Melting Point: 47°C
• Refractive Index: 1.5954 (estimate)
• Boiling Point: 333.3°C at 760 mmHg
• Flash Point: 155.2°C
• PSA: 30.21000
• Density: 1.097g/cm³
• LogP: 3.17570
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.068079557
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=CO2
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CO2

Technology Process of 3-(2-Furyl)acrylophenone

There total 11 articles about 3-(2-Furyl)acrylophenone 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: 98.0%

furfural (98-01-1) + α-bromoacetophenone (70-11-1) → 3-(furan-1-yl)-1-phenyl-prop-2-en-1-one (717-21-5)

Guidance literature:

With cerium(III) triiodide; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1039/c39850000777

Reference yield: 94.0%

furfural (98-01-1) + acetophenone (98-86-2) → 3-(furan-1-yl)-1-phenyl-prop-2-en-1-one (717-21-5)

Guidance literature:

With lithium hydroxide monohydrate; In ethanol; at 40 ℃; for 70h;

DOI:10.1016/j.ejmech.2015.06.029

Reference yield: 90.0%

3-(furan-2-yl)-1-phenylprop-2-en-1-ol (111393-11-4) → 3-(furan-1-yl)-1-phenyl-prop-2-en-1-one (717-21-5)

Guidance literature:

With p-benzoquinone; In diethylene glycol dimethyl ether; at 120 ℃; for 9h;

DOI:10.1016/S0040-4039(00)97659-7

upstream raw materials:

furfural

acetophenone

1-styrenyloxytrimethylsilane

α-bromoacetophenone

Downstream raw materials:

(3R)-3-(furan-2-yl)-1,3-diphenylpropan-1-one

fuberidazole

2-(3-phenylprop-1-yl)-tetrahydrofuran

1-phenyl-3-tetrahydro[2]furyl-propan-1-ol

Refernces

• 1、 Upadhyay, Neha,Tilekar, Kalpana,Loiodice, Fulvio,Anisimova, Natalia Yu.,Spirina, Tatiana S.,Sokolova, Darina V.,Smirnova, Galina B.,Choe, Jun-yong,Meyer-Almes, Franz-Josef,Pokrovsky, Vadim S.,Lavecchia, Antonio,Ramaa. "Pharmacophore hybridization approach to discover novel pyrazoline-based hydantoin analogs with anti-tumor efficacy". . . Retrieved 2020/12/21.
• 2、 Yue, Guizhou,Jiang, Dan,Dou, Zhengjie,Li, Sicheng,Feng, Juhua,Zhang, Li,Chen, Huabao,Yang, Chunping,Yin, Zhongqiong,Song, Xu,Liang, Xiaoxia,Wang, Xianxiang,Lu, Cuifen. "Rapid umpolung Michael addition of isatin N, N ′-cyclic azomethine imine 1,3-dipoles with chalcones". supporting information. p. 11712 - 11718. Retrieved 2021/07/12.