4-Phenyl-3-buten-2-ol

Base Information

• Chemical Name: 4-Phenyl-3-buten-2-ol
• CAS No.: 17488-65-2
• Deprecated CAS: 123536-30-1
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2906299090
• European Community (EC) Number: 241-501-6
• UNII: X6586VX5Q9
• Nikkaji Number: J28.644C,J474.277J
• Wikidata: Q27293592
• Mol file: 17488-65-2.mol

Synonyms:4-Phenyl-3-buten-2-ol;(E)-4-phenylbut-3-en-2-ol;36004-04-3;(3E)-4-Phenyl-3-buten-2-ol;Methyl styryl carbinol;4-phenylbut-3-en-2-ol;17488-65-2;trans-4-Phenyl-3-buten-2-ol;(E)-4-Phenyl-3-buten-2-ol;FEMA No. 2880, E-;trans-3-Hydroxy-1-phenyl-1-butene;4-Phenyl-3-buten-2-ol, (3E)-;3-Buten-2-ol, 4-phenyl-, (E)-;UNII-IIV76T367H;3-Buten-2-ol, 4-phenyl-, (3E)-;UNII-X6586VX5Q9;FEMA No. 2880;X6586VX5Q9;EINECS 241-501-6;AI3-10037;SCHEMBL295662;IIV76T367H;1-Methyl-3-phenylallyl alcohol;(3E)-4-phenylbut-3-en-2-ol;(E)-4-phenyl-but-3-en-2-ol;CHEBI:190782;ZIJWGEHOVHJHKB-BQYQJAHWSA-N;BAA50455;MFCD00155241;(3E)-4-Phenyl-3-buten-2-ol #;AKOS006272168;.alpha.-Methyl-.gamma.-phenylallyl alcohol;NS00012864;Q27293592;F8885-3275

Chemical Property of 4-Phenyl-3-buten-2-ol

Chemical Property:

• Vapor Pressure: 0.00373mmHg at 25°C
• Melting Point: 39-41℃
• Refractive Index: 1.5726 (589.3 nm 20℃)
• Boiling Point: 268.8°Cat760mmHg
• PKA: 14.68±0.20(Predicted)
• Flash Point: 122.5°C
• PSA: 20.23000
• Density: 1.023g/cm³
• LogP: 2.08060
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

4-Phenyl-3-buten-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C=CC1=CC=CC=C1)O
• Isomeric SMILES: CC(/C=C/C1=CC=CC=C1)O
• Uses: 4-Phenyl-3-buten-2-ol can be used as reagent/reactant for rhodium-catalyzed dynamic kinetic enantio-, chemo- and regioselective allylation of phenols/naphthols/hydroxypyridines with allylic carbonates. It can also be used in biological study for comparative study on quality of soy sauce produced from whole soybeans and defatted soybeans.

Technology Process of 4-Phenyl-3-buten-2-ol

There total 96 articles about 4-Phenyl-3-buten-2-ol 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: 100.0%

1-Phenylbut-1-en-3-one (122-57-6) → 4-phenylbut-3-en-2-ol (17488-65-2)

Guidance literature:

With diphenylsilane; cesium fluoride; at 25 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)88599-9

Reference yield: 99.0%

ethanol (64-17-5) + Cinnamic acid (621-82-9) → 4-phenylbut-3-en-2-ol (17488-65-2)

Guidance literature:

With tert.-butylhydroperoxide; In water; at 110 ℃; for 4h; Reagent/catalyst; Sealed tube;

DOI:10.1016/j.jcat.2016.01.030

Reference yield: 96.8%

1-phenyl-2-buten-1-ol (52755-38-1,52755-39-2,87246-95-5,92075-81-5,100017-30-9,115793-56-1,146566-32-7,3347-57-7) → 4-phenylbut-3-en-2-ol (17488-65-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; at 20 ℃;

upstream raw materials:

(E)-3-phenylpropenal

methyl magnesium iodide

methylmagnesium bromide

(rac)-(E)-2-acetoxy-4-phenylbut-3-ene

Downstream raw materials:

(rac)-(E)-2-acetoxy-4-phenylbut-3-ene

1-phenyl-3-butanol

(+/-)-3-methoxy-1-phenyl-1-butene

(E)-(3-propoxybut-1-enyl)benzene

Refernces

• 1、 Liu, Guohua,Sun, Yunqiang,Wang, Jianyao,Sun, Chuanshou,Zhang, Fang,Li, Hexing. "Microwave-assisted tandem allylation-isomerization reaction catalyzed by a mesostructured bifunctional catalyst in aqueous media". . p. 1477 - 1481. Retrieved 2009.
• 2、 Akbayeva, Dina N.,Gonsalvi, Luca,Oberhauser, Werner,Peruzzini, Maurizio,Vizza, Francesco,Brueggeller, Peter,Romerosa, Antonio,Sava, Gianni,Bergamo, Alberta. "Synthesis, catalytic properties and biological activity of new water soluble(ruthenium cyclopentadienyl PTA complexes [(C5R5)RuCl(PTA)2] (R = H, me; PTA = 1,3,5-triaza-7-phosphaadamantane)". . p. 264 - 265. Retrieved 2003.
• 3、 Chen, Manyu,Cui, Kai,Hou, Zhenshan,Peng, Qingpo,Wang, Jiajia,Wei, Xinjia,Zhao, Xiuge. "Cationic Ru complexes anchored on POM via non-covalent interaction towards efficient transfer hydrogenation catalysis". . . Retrieved 2021/12/22.
• 4、 Seo, Chris S. G.,Tsui, Brian T. H.,Gradiski, Matthew V.,Smith, Samantha A. M.,Morris, Robert H.. "Enantioselective direct, base-free hydrogenation of ketones by a manganese amido complex of a homochiral, unsymmetrical P-N-P′ ligand". . p. 3153 - 3163. Retrieved 2021/05/25.