But-3-ynyl Acetate

Base Information

• Chemical Name: But-3-ynyl Acetate
• CAS No.: 56703-55-0
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• European Community (EC) Number: 871-995-4
• DSSTox Substance ID: DTXSID40390790
• Nikkaji Number: J377.080J
• Wikidata: Q82187821
• Mol file: 56703-55-0.mol

Synonyms:But-3-ynyl Acetate;3-Butynyl-1-acetate;56703-55-0;But-3-yn-1-yl acetate;3-butynyl acetate;SCHEMBL114714;DTXSID40390790;MFCD01632457;AKOS006237899;CS-0242576;EN300-2520659

Chemical Property of But-3-ynyl Acetate

Chemical Property:

• Vapor Pressure: 5.78mmHg at 25°C
• Refractive Index: 1.426
• Boiling Point: 141.7°C at 760 mmHg
• Flash Point: 39.4°C
• PSA: 26.30000
• Density: 0.976g/cm³
• LogP: 0.57280
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCC#C

Technology Process of But-3-ynyl Acetate

There total 4 articles about But-3-ynyl Acetate 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: 91.0%

acetic anhydride (108-24-7) + 3-Butyn-1-ol (927-74-2) → but-3-yn-1-yl acetate (56703-55-0)

Guidance literature:

With ruthenium(III) 2,4-pentanedionate; at 25 ℃; for 5h;

DOI:10.1139/V06-191

Reference yield: 46.0%

acetonitrile (75-05-8,26809-02-9) + 3-Butyn-1-ol (927-74-2) → but-3-yn-1-yl acetate (56703-55-0)

Guidance literature:

With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; at 20 ℃; for 18h; Irradiation; Inert atmosphere;

DOI:10.1039/d0nj00002g

Reference yield:

acetyl chloride (75-36-5) + 3-Butyn-1-ol (927-74-2) → but-3-yn-1-yl acetate (56703-55-0)

Guidance literature:

In pyridine;

DOI:10.1021/ja00531a031

upstream raw materials:

acetic anhydride

3-Butyn-1-ol

acetyl chloride

2-iodoethyl acetate

Downstream raw materials:

(3E)-octenyl acetate

Acetic acid (E)-8-benzyloxy-3-methylene-oct-4-enyl ester

4-oxobutyl acetate

1-acetoxybutan-3-one

Refernces

• 1、 Qiu, Sheng-Qi,Ahmad, Tanveer,Xu, Yun-He,Loh, Teck-Peng. "Palladium-Catalyzed Cascade Intramolecular Cyclization and Allylation of Enynoates with Allylic Alcohols". . p. 6729 - 6736. Retrieved 2019/06/14.
• 2、 Kumar, Vishal,Singh, Chitra,Sharma, Upendra,Verma, Praveen K.,Singh, Bikram,Kumar, Neeraj. "Silica-supported boric acid catalyzed synthesis of dihydropyrimidin-2-ones, bis(indolyl)methanes, esters and amides". . p. 83 - 89. Retrieved 2014/02/14.