(But-3-en-2-yl)benzene

Base Information

• Chemical Name: (But-3-en-2-yl)benzene
• CAS No.: 934-10-1
• Molecular Formula: C10H12
• Molecular Weight: 132.205
• NSC Number: 122566
• DSSTox Substance ID: DTXSID80298327
• Nikkaji Number: J669.477B
• Mol file: 934-10-1.mol

Synonyms:But-3-en-2-ylbenzene;3-phenyl-1-butene;(But-3-en-2-yl)benzene;934-10-1;NSC122566;3-Phenylbut-1-ene;(1-methyl-2-propenyl)benzene;1-Methyl-2-propenyl)-benzene;CHPXLAPHLQIKCA-UHFFFAOYSA-;DTXSID80298327;NSC-122566;EN300-1862036;InChI=1/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3

Chemical Property of (But-3-en-2-yl)benzene

Chemical Property:

• Boiling Point: 167.8°Cat760mmHg
• Flash Point: 45.9°C
• Density: 0.874g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 132.093900383
• Heavy Atom Count: 10
• Complexity: 98.6

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (But-3-en-2-yl)benzene

There total 145 articles about (But-3-en-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: 92.8%

β-phenylisovaleryl p-nitrobenzoyl peroxide (51380-79-1) → 4,4-dimethyl-2-oxo-chroman (29598-22-9) + 2-Methyl-1-phenyl-2-propanol (100-86-7) + (2-methyl-1-propenyl)-benzene (768-49-0) + 3-phenylbut-1-ene (934-10-1) + 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3) + 4-nitro-benzoic acid (62-23-7)

Guidance literature:

With P₀ silica; at 40 ℃; Rate constant; reactions without P₀ silica in cyclohexane at the various temperatures;

DOI:10.1021/ja00416a013

Reference yield: 56.8%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + ethene (74-85-1) → 3-phenylbut-1-ene (934-10-1) + 2-phenylbut-2-ene (767-99-7,768-00-3,2082-61-3)

Guidance literature:

With 3-(diphenylphosphino)propionic acid benzyl ester; <(η³-C4H7)Pd(cod)>BF4; P,O ligand; In dichloromethane; for 17h; under 22501.8 Torr; Product distribution; Ambient temperature; variuos ligands;

DOI:10.1002/(SICI)1521-3773(19990601)38:11<1655::AID-ANIE1655>3.0.CO;2-2

Reference yield: 53.0%

(E/Z)-crotyl bromide (4784-77-4,29576-14-5,39616-19-8) + phenyltriethoxytitanium (95576-66-2) → 3-phenylbut-1-ene (934-10-1) + 1-phenyl-2-butene (1560-06-1)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); In diethyl ether; benzene; at 25 ℃; for 3h;

DOI:10.1007/BF00960306

upstream raw materials:

diethyl ether

1-but-2ξ-enyloxy-2-methoxy-benzene

trans-but-2-enyl chloride

3-phenyl-1-butanol

Downstream raw materials:

(Z)-3-Phenyl-but-2-en-1-al

(E)-β-methylcinnamaldehyde

Refernces

• 1、 Zhao, Kuo,Knowles, Robert R.. "Contra-Thermodynamic Positional Isomerization of Olefins". supporting information. p. 137 - 144. Retrieved 2022/01/19.
• 2、 Zhang, Sheng,Bedi, Deepika,Cheng, Lu,Unruh, Daniel K.,Li, Guigen,Findlater, Michael. "Cobalt(II)-Catalyzed Stereoselective Olefin Isomerization: Facile Access to Acyclic Trisubstituted Alkenes". supporting information. p. 8910 - 8917. Retrieved 2020/12/23.