(3,3-DIMETHYL-BUT-1-YNYL)-BENZENE

Base Information

• Chemical Name: (3,3-DIMETHYL-BUT-1-YNYL)-BENZENE
• CAS No.: 4250-82-2
• Molecular Formula: C12H14
• Molecular Weight: 158.243
• Mol file: 4250-82-2.mol

Synonyms:(tert-butyl)pheylacetylene;(3,3-dimethylbut-1-yn-1-yl)benzene;Phenyl-t-butylacetylene;phenyl-tert-butylacetylene;(3,3-dimethyl-but-1-ynyl)benzene;1-(3,3-dimethylbut-1-ynyl)benzene;(3,3-dimethyl-1-butynyl)benzene;

Chemical Property of (3,3-DIMETHYL-BUT-1-YNYL)-BENZENE

Chemical Property:

• Vapor Pressure: 0.109mmHg at 25°C
• Boiling Point: 228.8°Cat760mmHg
• Flash Point: 88.3°C
• PSA: 0.00000
• Density: 0.91g/cm³
• LogP: 3.08420

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (3,3-DIMETHYL-BUT-1-YNYL)-BENZENE

There total 69 articles about (3,3-DIMETHYL-BUT-1-YNYL)-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: 100.0%

tert-butylmercury chloride (38442-51-2) → (3,3-dimethyl-but-1-ynyl)benzene (4250-82-2)

Guidance literature:

With PhCCI; In dimethyl sulfoxide; Irradiation (UV/VIS); mercurial and organic compound dissolved in nitrogen purged solvent, irradn. (275-W sunlamp, 35-40°C, 7h);; mixt. poured into water; extn. with benzene; ext. washed (aq. Na2S2O3), dried (Na2SO4) and concd. (vacuum); yield detd. by GLC;;

DOI:10.1021/ja00219a030

Reference yield: 99.0%

iodobenzene (591-50-4) + 3,3-Dimethylbut-1-yne (917-92-0) → (3,3-dimethyl-but-1-ynyl)benzene (4250-82-2)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02537

Reference yield: 93.0%

3,3-Dimethylbut-1-yne (917-92-0) + chlorobenzene (108-90-7) → (3,3-dimethyl-but-1-ynyl)benzene (4250-82-2)

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; pentane; at 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol2014736

upstream raw materials:

phenylethynylmagnesium bromide

t-butyl bromide

iodobenzene

3,3-Dimethylbut-1-yne

Downstream raw materials:

C₂₁H₂₄

(3,3-dimethylbut-1-ene-1,1-diyl)dibenzene

(E)-(1-Chloro-3,3-dimethyl-1-butenyl)benzene

(3,3-dimethylbutyl)benzene

Refernces

• 1、 Huang, Zhidao,Wang, Yulei,Leng, Xuebing,Huang, Zheng. "An Amine-Assisted Ionic Monohydride Mechanism Enables Selective Alkyne cis-Semihydrogenation with Ethanol: From Elementary Steps to Catalysis". supporting information. p. 4824 - 4836. Retrieved 2021/04/07.
• 2、 Amos, Stephanie G. E.,Cavalli, Diana,Le Vaillant, Franck,Waser, Jerome. "Direct Photoexcitation of Ethynylbenziodoxolones: An Alternative to Photocatalysis for Alkynylation Reactions**". supporting information. p. 23827 - 23834. Retrieved 2021/09/25.