Ethynyl propyl ketone

Base Information

• Chemical Name: Ethynyl propyl ketone
• CAS No.: 689-00-9
• Molecular Formula: C6H8 O
• Molecular Weight: 96.1289
• Hs Code.: 2914190090
• Mol file: 689-00-9.mol

Synonyms:Ethynylpropyl ketone; NSC 617317

Chemical Property of Ethynyl propyl ketone

Chemical Property:

• Vapor Pressure: 7.69mmHg at 25°C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 135.5°C at 760 mmHg
• Flash Point: 41.8°C
• PSA: 17.07000
• Density: 0.886g/cm³
• LogP: 0.98880

Purity/Quality:

99% ^*data from raw suppliers

Hex-1-yn-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Ethynyl propyl ketone

There total 6 articles about Ethynyl propyl ketone 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: 66.0%

1-hexyn-3-ol (105-31-7) → hex-1-yn-3-one (689-00-9)

Guidance literature:

With iodosylbenzene; tris(triphenylphosphine)ruthenium(II) chloride; In dichloromethane; for 0.0833333h; Ambient temperature;

DOI:10.1016/S0040-4039(01)82906-3

Reference yield: 41.0%

butyryl chloride (141-75-3) + trimethylsilylacetylene (1066-54-2) → hex-1-yn-3-one (689-00-9)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1002/1099-0690(200111)2001:22<4181::AID-EJOC4181>3.0.CO;2-T

Reference yield:

hex-1-yne (693-02-7) → hex-1-yn-3-one (689-00-9)

Guidance literature:

With tert.-butylhydroperoxide; [copper(II)(salqu)]; In acetonitrile; at 70 ℃; for 16h;

DOI:10.1016/j.tetlet.2018.01.030

upstream raw materials:

1-hexyn-3-ol

1-(Trimethylsilyl)-1-hexyn-3-one

C₆H₇⁽³⁾HO

butyryl chloride

Downstream raw materials:

1-(2-phenylimidazol-4-yl)butan-1-one

S-[(S)-hex-1-yn-3-yl] benzothioate

S-[(R)-hex-1-yn-3-yl] benzothioate

(S)-(-)-1-hexyn-3-ol

Refernces

• 1、 Jeong, Eun Jeong,Kang, Eun Joo,Sung, Lee Taek,Hong, Sung Kil,Lee, Eun. "Stereoselective synthesis of pamamycin-607". . p. 14655 - 14662. Retrieved 2007/10/03.
• 2、 Schubert, Thomas,Hummel, Werner,Kula, Maria-Regina,Mueller, Michael. "Enantioselective synthesis of both enantiomers of various propargylic alcohols by use of two oxidoreductases". . p. 4181 - 4187. Retrieved 2007/10/03.