Obtusastyrene

Base Information

• Chemical Name: Obtusastyrene
• CAS No.: 21148-30-1
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• NSC Number: 154312
• Nikkaji Number: J1.704.544J,J16.150K
• Mol file: 21148-30-1.mol

Synonyms:4-cinnamylphenol;obtusastyrene;obtusastyrene, (E)-isomer

Chemical Property of Obtusastyrene

Chemical Property:

• Vapor Pressure: 7.99E-06mmHg at 25°C
• Boiling Point: 364.5°C at 760 mmHg
• Flash Point: 174.7°C
• Density: 1.109g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 208

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CCC2=CC=C(C=C2)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/CC2=CC=C(C=C2)O

Technology Process of Obtusastyrene

There total 20 articles about Obtusastyrene 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: 92.0%

(p-hydroxyphenyl)boronic acid (71597-85-8) + (E)-methyl cinnamyl carbonate (87802-71-9,85217-69-2) → 3-(4-hydroxyphenyl)-1-phenylprop-1-ene (21148-30-1)

Guidance literature:

With potassium carbonate; In water; at 80 ℃; for 9h;

DOI:10.1039/c5gc00745c

Reference yield: 83.0%

1-Phenyl-2-propen-1-ol (4393-06-0) + phenol (108-95-2,27073-41-2) → 3-(4-hydroxyphenyl)-1-phenylprop-1-ene (21148-30-1)

Guidance literature:

With palladium dichloride; In 1,2-dichloro-ethane; at 60 ℃; for 24h; Reagent/catalyst; regioselective reaction; Schlenk technique;

DOI:10.1039/d1ob01489g

Reference yield: 75.0%

(E)-2-(4-(cinnamyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (1616917-67-9) → 3-(4-hydroxyphenyl)-1-phenylprop-1-ene (21148-30-1)

Guidance literature:

With C₁₄H₁₆N₆; palladium diacetate; calcium hydroxide; In N,N-dimethyl acetamide; water; at 50 ℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1021/jo501235w

upstream raw materials:

(2E)-3-phenyl-2-propen-1-ol

(E)-cinnamyl phenyl ether

(E)-1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one

phenol

Downstream raw materials:

4-(3-phenylpropyl)phenol

Refernces

• 1、 Jurd. "". . p. 2863. Retrieved 1969.
• 2、 Lee, Yongwoo,Shabbir, Saira,Lee, Sinyoung,Ahn, Hyunsoek,Rhee, Hakjune. "Catalytic allylic arylation of cinnamyl carbonates over palladium nanoparticles supported on a thermoresponsive polymer in water". . p. 3579 - 3583. Retrieved 2015/06/25.