Benzene, (1-Methyl-2-propyn-1-yl)-

Base Information

• Chemical Name: Benzene, (1-Methyl-2-propyn-1-yl)-
• CAS No.: 4544-28-9
• Molecular Formula: C₁₀H₁₀
• Molecular Weight: 130.189
• Mol file: 4544-28-9.mol

Synonyms:3-phenyl-1-butyne;Benzene,(1-methyl-2-propyn-1-yl);Benzene,(1-methyl-2-propynyl);but-3-yn-2-yl-benzene;(RS)-3-phenyl-1-butyne;1-methyl-prop-2-ynyl-benzene;(1-Methyl-2-propynyl)benzene;(1-methylprop-2-yn-1-yl)benzene;

Chemical Property of Benzene, (1-Methyl-2-propyn-1-yl)-

Chemical Property:

• Boiling Point: 160.8±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 0.931±0.06 g/cm3(Predicted)
• LogP: 2.42330

Purity/Quality:

≥95% ^*data from raw suppliers

But-3-yn-2-ylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzene, (1-Methyl-2-propyn-1-yl)-

There total 22 articles about Benzene, (1-Methyl-2-propyn-1-yl)- 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: 95.0%

2-phenyl-3-butyn-2-yl benzoate → 1-methyl-1-phenylallene (22433-39-2) + (E)-2-phenyl-2-butene (768-00-3) + 3-phenyl-1-butyne (4544-28-9,86738-23-0,86783-50-8,109279-81-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

tris(2,2'-bipyridine)nickel(II) tetrafluoroborate; In N,N-dimethyl-formamide; Ambient temperature; electrolysis;

DOI:10.1016/S0040-4039(97)01396-8

Reference yield: 85.0%

(RS)-(E)-1-chloro-3-phenylbut-1-ene (86738-26-3) → 3-phenyl-1-butyne (4544-28-9,86738-23-0,86783-50-8,109279-81-4)

Guidance literature:

With sodium amide; In paraffin; at 160 ℃; for 1h;

Reference yield: 71.0%

1-brombuta-1,2-diene (10575-78-7) + phenylmagnesium bromide → 3-phenyl-1-butyne (4544-28-9,86738-23-0,86783-50-8,109279-81-4)

Guidance literature:

With Br₂Cu^(1-)*Li⁽¹⁺⁾; In tetrahydrofuran; at -70 ℃;

DOI:10.1002/1099-0690(200111)2001:22<4321::AID-EJOC4321>3.0.CO;2-T

upstream raw materials:

2-bromo-2-fluoro-1-phenylcyclopropane

methyllithium

1-phenylprop-2-ynyl acetate

1-Phenylprop-1-yne

Downstream raw materials:

4-phenylpent-2-ynoic acid

4-methyl-4-phenyl-2-pentyne

4-phenyl-2-pentyne

(Z)-2-(dimethylphenylsilylmethylene)-3-phenylbutanal

Refernces

• 1、 Barrett, Anthony G. M.,Hopkins, Brian T.,Love, Andrew C.,Tedeschi, Livio. "Parallel synthesis of terminal alkynes using a ROMPgel-supported ethyl 1-diazo-2-oxopropylphosphonate". . p. 835 - 837. Retrieved 2007/10/03.
• 2、 Aronica, Laura Antonella,Terreni, Silvia,Caporusso, Anna Maria,Salvadori, Piero. "Silylformylation of chiral 1-alkynes, catalysed by solvated rhodium atoms". . p. 4321 - 4329. Retrieved 2007/10/03.