2-METHYL-4-PHENYL-3-BUTYN-2-OL

Base Information

• Chemical Name: 2-METHYL-4-PHENYL-3-BUTYN-2-OL
• CAS No.: 1719-19-3
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• Hs Code.: 2906299090
• Mol file: 1719-19-3.mol

Synonyms:(3-Hydroxy-3-methyl-1-butynyl)benzene;1,1-Dimethyl-3-phenyl-2-propyn-1-ol; 1-Phenyl-3-methyl-1-butyn-3-ol;2-Methyl-4-phenyl-3-butyn-2-ol; 3-Methyl-1-phenyl-1-butyn-3-ol;Dimethyl(phenylethynyl)carbinol; NSC 149374

Chemical Property of 2-METHYL-4-PHENYL-3-BUTYN-2-OL

Chemical Property:

• Vapor Pressure: 0.00644mmHg at 25°C
• Melting Point: 48-49°C
• Boiling Point: 77°C 0,1mm
• PKA: 13.07±0.29(Predicted)
• Flash Point: 116.3°C
• PSA: 20.23000
• Density: 1.04g/cm³
• LogP: 1.80900
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-4-phenylbut-3-yn-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

Technology Process of 2-METHYL-4-PHENYL-3-BUTYN-2-OL

There total 44 articles about 2-METHYL-4-PHENYL-3-BUTYN-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%

bromobenzene (108-86-1,52753-63-6) + 2-methyl-but-3-yn-2-ol (115-19-5) → 2-Methyl-4-phenyl-3-butyn-2-ol (1719-19-3)

Guidance literature:

With copper(l) iodide; C₈₀H₆₅BrN₂O₂P₄Pd; triethylamine; In water; for 7h; Reagent/catalyst; Inert atmosphere; Reflux;

DOI:10.24820/ARK.5550190.P011.231

Reference yield: 100.0%

phenylacetylene (536-74-3) + acetone (67-64-1) → 2-Methyl-4-phenyl-3-butyn-2-ol (1719-19-3)

Guidance literature:

phosphazene base-P₄-tert-butyl; In hexane; dimethyl sulfoxide; at 120 ℃; for 24h;

DOI:10.1002/adsc.200404076

Reference yield: 100.0%

iodobenzene (591-50-4) + 2-methyl-but-3-yn-2-ol (115-19-5) → 2-Methyl-4-phenyl-3-butyn-2-ol (1719-19-3)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/chem.201705968

upstream raw materials:

phenylacetylene

acetone

phenylethynylmagnesium bromide

methyl magnesium iodide

Downstream raw materials:

(3-methylbut-3-en-1-ynyl)benzene

4-phenyl-2-methyl-2-butanol

1,1-dimethyl-3-phenylprop-2-ynyl chloride

ethyl 1,1-dimethyl-3-phenylpropargyl acetate

Refernces

• 1、 Tejedor, David,Díaz-Díaz, Abián,Diana-Rivero, Raquel,Delgado-Hernández, Samuel,García-Tellado, Fernando. "Synthesis and Utility of 2,2-Dimethyl-2 H-pyrans: Dienes for Sequential Diels-Alder/Retro-Diels-Alder Reactions". . p. 7987 - 7992. Retrieved 2018.
• 2、 Shvartsberg et al.. "". . . Retrieved 1972.
• 3、 Ma, Chi,Zhang, Youlai,Zhang, Huan,Li, Junru,Nishiyama, Yasuhiro,Tanimoto, Hiroki,Morimoto, Tsumoru,Kakiuchi, Kiyomi. "Synthesis and Photochemistry of a New Photolabile Protecting Group for Propargylic Alcohols". . p. 560 - 564. Retrieved 2017.
• 4、 De Carné-Carnavalet, Beno?t,Archambeau, Alexis,Meyer, Christophe,Cossy, Janine,Folléas, Beno?t,Brayer, Jean-Louis,Demoute, Jean-Pierre. "Efficient synthesis of substituted 3-azabicyclo[3.1.0]hexan-2-ones from 2-iodocyclopropanecarboxamides using a copper-free Sonogashira coupling". . p. 16716 - 16727. Retrieved 2012.
• 5、 Gupta, Saswata,Su, Siyuan,Zhang, Yu,Liu, Peng,Wink, Donald J.,Lee, Daesung. "Ruthenabenzene: A Robust Precatalyst". supporting information. p. 7490 - 7500. Retrieved 2021/05/26.
• 6、 Yaragorla, Srinivasarao,Latha, Dandugula Sneha,Rajesh, Pallava. "Calcium-Catalyzed Intramolecular Hydroamination-Deacylation Reaction of in situ formed β-Amino Allenes". supporting information. p. 5486 - 5492. Retrieved 2021/12/10.