3-Butyn-1-OL

Base Information

• Chemical Name: 3-Butyn-1-OL
• CAS No.: 927-74-2
• Molecular Formula: C4H6O
• Molecular Weight: 70.091
• Hs Code.: 29052990
• European Community (EC) Number: 213-161-9
• NSC Number: 9708
• UNII: P74L430293
• DSSTox Substance ID: DTXSID1022136
• Nikkaji Number: J1.744B
• Wikidata: Q223060
• Metabolomics Workbench ID: 51319
• Mol file: 927-74-2.mol

Synonyms:3-butyn-1-ol

Chemical Property of 3-Butyn-1-OL

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 4.41mmHg at 25°C
• Melting Point: - 63.6 °C(lit.)
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 130.125 °C at 760 mmHg
• PKA: 14.22±0.10(Predicted)
• Flash Point: 36.111 °C
• PSA: 20.23000
• Density: 0.924 g/cm³
• LogP: 0.00200
• Storage Temp.: Flammables area
• Solubility.: Miscible with alcohols and organic solvents. Immiscible with ali
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 70.041864811
• Heavy Atom Count: 5
• Complexity: 47.9

Purity/Quality:

98% ^*data from raw suppliers

3-Butyn-1-ol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C#CCCO
• Uses: (3-Butyn-1-ol) Alkynyl substrate used in a study of a palladium-catalyzed coupling with β-tetrionic acid bromide leading to alkynyl substituted furanones in good yield.1 3-butyn-1-ol is used in the study of a palladium-catalyzed coupling with beta-tetrionic acid bromide to prepare alkynyl substituted furanones. It is also used to prepare Markovnikov addition product. Further, it is used as an intermediate of an active pharmaceutical ingredient such as fexofenadine. Synthon for preparation of oxygen-containing heterocycles and protected esters of s-Hydroxy-L-isoleucine

Technology Process of 3-Butyn-1-OL

There total 22 articles about 3-Butyn-1-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: 98.0%

2-(but-3-yn-1-yloxy)tetrahydropyran (40365-61-5) → 2-methoxytetrahydropyran (6581-66-4) + 3-Butyn-1-ol (927-74-2)

Guidance literature:

With methanol; DOWEX 50 W-X₂ cation exchange resin; at 40 ℃; for 1h;

Reference yield: 97.0%

pyridine-2-carboxylic acid but-3-ynyl ester → 3-Butyn-1-ol (927-74-2)

Guidance literature:

With zinc diacetate; In methanol; dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2005.05.125

Reference yield: 93.0%

4-<(triphenylmethyl)oxy>-1-butyne (75014-48-1) → 3-Butyn-1-ol (927-74-2)

Guidance literature:

With indium(III) chloride; water; In acetonitrile; for 2h; Heating;

upstream raw materials:

oxirane

sodium acetylide

2,3-butadien-1-ol

3-bromobut-3-en-1-ol

Downstream raw materials:

but-3-yn-1-yl acetate

3-butyn-1-yl p-toluenesulfonate

3,3-dimethoxybutan-1-ol

3-methoxy-but-3-en-1-ol

Refernces

• 1、 Urgoitia, Garazi,SanMartin, Raul,Herrero, María Teresa,Domínguez, Esther. "Vanadium-Catalyzed Oxidative Debenzylation of O-Benzyl Ethers at ppm Level". . p. 3307 - 3312. Retrieved 2016/10/21.
• 2、 Kumar, K. Ravi,Satyanarayana,Reddy, B. Srinivasa. "Simple and efficient method for deprotection of tetrahydropyranyl ethers by using Silica supported sodium hydrogen sulphate". experimental part. p. 1189 - 1191. Retrieved 2012/07/27.