Propynol ethoxylate

Base Information

• Chemical Name: Propynol ethoxylate
• CAS No.: 3973-18-0
• Deprecated CAS: 879551-19-6,2414345-39-2
• Molecular Formula: C5H8O2
• Molecular Weight: 100.117
• Hs Code.: 2909498090
• European Community (EC) Number: 223-601-1
• UNII: 2EQ7D0F9DR
• DSSTox Substance ID: DTXSID9044665
• Nikkaji Number: J113.065J
• Wikidata: Q27254635
• Mol file: 3973-18-0.mol

Synonyms:Ethanol,2-(2-propynyloxy)- (6CI,7CI,8CI,9CI);2-(2-Propynyloxy)ethanol;2-(Propargyloxy)ethanol;2-Propynoxyethanol;3-(2-Hydroxyethoxy)-1-propyne;4-Oxa-1-hexyn-6-ol;Ethylene glycol monopropargyl ether;

Chemical Property of Propynol ethoxylate

Chemical Property:

• Appearance/Colour: Colorless to yellowish liquid
• Vapor Pressure: 0.52mmHg at 25°C
• Refractive Index: 1.4502
• Boiling Point: 168.7 °C at 760 mmHg
• PKA: 14.22±0.10(Predicted)
• Flash Point: 68.9 °C
• PSA: 29.46000
• Density: 1.014 g/cm³
• LogP: -0.37150
• Storage Temp.: -20°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 100.052429494
• Heavy Atom Count: 7
• Complexity: 69.4

Purity/Quality:

98%min ^*data from raw suppliers

MT-CYB ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOCCO
• Description: Propargyl-PEG2-alcohol has propargyl and alcohol end groups. The propargyl can participate in copper-catalyzed Click Chemistry reactions with azides.
• Uses: Propynol Ethoxylate is an intermediate and it is shown to be used in the design and synthesis of a tag-free chemical probe for photoafiinity labeling.

Technology Process of Propynol ethoxylate

There total 9 articles about Propynol ethoxylate 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: 80.0%

ethylene glycol (107-21-1) + propargyl bromide (106-96-7) → 2-(prop-2-ynyloxy)ethanol (3973-18-0)

Guidance literature:

ethylene glycol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

propargyl bromide; at 0 - 50 ℃;

Reference yield: 67.0%

propynoic aldehyde ethyleneglycol acetal (18938-38-0) → 2-(prop-2-ynyloxy)ethanol (3973-18-0)

Guidance literature:

With benzo[1,3,2]dioxaborole; In benzene; at 50 ℃;

DOI:10.1080/00397919108019775

Reference yield:

tert-butyl dimethyl(2-(prop-2-yn-1-yloxy)ethoxy)silane (339531-56-5) → 2-(prop-2-ynyloxy)ethanol (3973-18-0)

Guidance literature:

With hydrogen fluoride; In water; acetonitrile; at 0 ℃; for 3h;

upstream raw materials:

ethylene glycol vinyl propargyl diether

ethylene glycol

2-propynyl chloride

sodium propargylate

Downstream raw materials:

bromo-1 propargyloxy-2 ethane

α,ω-bis(O-propargyl)ethylene glycol

1-(2,4-dinitrophenoxy)-2-(2-propynyloxy)ethane

ethanol-2-(2-propyn-1-yloxy) 1-(4-methylbenzenesulfonate)

Refernces

• 1、 Hayashi, Koichiro,Miyaoka, Yuta,Ohishi, Yuki,Uchida, Taka-aki,Iwamura, Munetaka,Nozaki, Koichi,Inouye, Masahiko. "Observation of Circularly Polarized Luminescence of the Excimer from Two Perylene Cores in the Form of [4]Rotaxane". . p. 14613 - 14616. Retrieved 2018.
• 2、 -. "TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE". Paragraph 0566; 0567; 1278; 1279. . Retrieved 2021/02/12.
• 3、 Vuorinen, Aini,Wilkinson, Isabel V.L.,Chatzopoulou, Maria,Edwards, Ben,Squire, Sarah E.,Fairclough, Rebecca J.,Bazan, Noelia Araujo,Milner, Josh A.,Conole, Daniel,Donald, James R.,Shah, Nandini,Willis, Nicky J.,Martínez, R. Fernando,Wilson, Francis X.,Wynne, Graham M.,Davies, Stephen G.,Davies, Kay E.,Russell, Angela J.. "Discovery and mechanism of action studies of 4,6-diphenylpyrimidine-2-carbohydrazides as utrophin modulators for the treatment of Duchenne muscular dystrophy". supporting information. . Retrieved 2021/05/03.