3-Butyn-2-ol

Base Information

• Chemical Name: 3-Butyn-2-ol
• CAS No.: 2028-63-9
• Deprecated CAS: 123362-54-9,65337-13-5
• Molecular Formula: C4H6O
• Molecular Weight: 70.091
• Hs Code.: 29052900
• European Community (EC) Number: 217-978-1
• NSC Number: 222370
• DSSTox Substance ID: DTXSID3022297
• Nikkaji Number: J65.780H
• Mol file: 2028-63-9.mol

Synonyms:3-butyn-2-ol

Chemical Property of 3-Butyn-2-ol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 17.3mmHg at 25°C
• Melting Point: 12ºC
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 104 °C at 760 mmHg
• PKA: 13.28±0.20(Predicted)
• Flash Point: 25.6 °C
• PSA: 20.23000
• Density: 0.919 g/cm³
• LogP: 0.00040
• Storage Temp.: Flammables area
• Water Solubility.: Completely miscible in water
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 70.041864811
• Heavy Atom Count: 5
• Complexity: 57.3

Purity/Quality:

98% ^*data from raw suppliers

3-Butyn-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, F
• Hazard Codes: T,F
• Statements: 10-25-36/38-36/37/38-24/25
• Safety Statements: 26-45-36/37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CC(C#C)O

Technology Process of 3-Butyn-2-ol

There total 23 articles about 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: 96.7%

acetaldehyde (75-07-0,9002-91-9) + acetylene (74-86-2,25067-58-7) → but-3-yn-2-ol (2028-63-9)

Guidance literature:

acetylene; With potassium 2-methylpropan-2-olate; at 10 - 15 ℃; for 1.5h; under 750.075 - 900.09 Torr; Large scale;

acetaldehyde; at 10 - 15 ℃; for 1h; under 750.075 - 900.09 Torr; Large scale;

In water; at 10 - 50 ℃; for 0.025h; Reagent/catalyst; Temperature; Pressure; Large scale;

Reference yield: 74.0%

trimethyl(4-{[(1-methylprop-2-yn-1-yl)oxy]methyl}benzyl)silane (846539-19-3) → p-<(trimethylsilyl)methyl>benzaldehyde (109088-53-1) + but-3-yn-2-ol (2028-63-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; at 20 ℃;

DOI:10.1016/j.tet.2004.11.023

Reference yield: 58.0%

→ (+-)-endo-3-(3-Butyn-2-oxy)-4-(1-azabicyclo[3.2.1]octyl-6-oxy)-1,2,5-thiadiazole + but-3-yn-2-ol (2028-63-9)

Guidance literature:

upstream raw materials:

Propargylic aldehyde

methylmagnesium bromide

3-bromo-3-buten-2-ol

ethynyldimagnesium dibromide

Downstream raw materials:

4-isobutylamino-but-3-en-2-one

pent-2-yne-1,4-diol

1-diethylamino-pent-2-yn-4-ol

1-(3-hydroxy-but-1-ynyl)-2,2,6-trimethyl-cyclohexanol

Refernces

• 1、 Zhang, Yanshun,Sun, Yaoliang,Wei, Yin,Shi, Min. "Phosphine-Catalyzed Intermolecular Annulations of Fluorinated ortho-Aminophenones with Alkynones – The Switchable [4+2] or [4+2]/[3+2] Cycloaddition". supporting information. p. 2129 - 2135. Retrieved 2019/03/13.
• 2、 Li, Yong-Tao,Wang, Jing-Han,Pan, Cheng-Wen,Meng, Fan-Fei,Chu, Xiao-Qian,Ding, Ya-Hui,Qu, Wen-Zheng,Li, Hui-Ying,Yang, Cheng,Zhang, Quan,Bai, Cui-Gai,Chen, Yue. "Syntheses and biological evaluation of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib". . p. 1419 - 1427. Retrieved 2016/02/19.