2-Butynyl acetate

Base Information

• Chemical Name: 2-Butynyl acetate
• CAS No.: 34485-37-5
• Molecular Formula: C6H8 O2
• Molecular Weight: 112.128
• DSSTox Substance ID: DTXSID50427046
• Nikkaji Number: J832.487E
• Wikidata: Q82239800
• Mol file: 34485-37-5.mol

Synonyms:2-BUTYNYL ACETATE;34485-37-5;but-2-ynyl acetate;but-2-yn-1-yl acetate;1-Acetoxy-2-butyne;2-BUTYNYLACETATE;2-Butynylacetate,98%;SCHEMBL577216;2-Butynyl acetate, AldrichCPR;DTXSID50427046;AKOS024261665;FT-0611644;FT-0611646

Chemical Property of 2-Butynyl acetate

Chemical Property:

• Vapor Pressure: 4.04mmHg at 25°C
• Refractive Index: 1.4350
• Boiling Point: 149.4°Cat760mmHg
• Flash Point: 43.8°C
• PSA: 26.30000
• Density: 0.98g/cm³
• LogP: 0.57280
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 135

Purity/Quality:

98%Min ^*data from raw suppliers

2-Butynyl acetate Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 11-22
• Safety Statements: 16-23-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#CCOC(=O)C

Technology Process of 2-Butynyl acetate

There total 2 articles about 2-Butynyl 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: 82.0%

methyl propargyl alcohol (764-01-2) + acetic anhydride (108-24-7) → but-2-yn-1-yl acetate (34485-37-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 23 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201108714

Reference yield:

methyl propargyl alcohol (764-01-2) + acetic acid (64-19-7,77671-22-8) → but-2-yn-1-yl acetate (34485-37-5)

Guidance literature:

With dmap; triethylamine; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201601515

Reference yield: 61.0%

but-2-yn-1-yl acetate (34485-37-5) + (4-nitrophenyl)(phenyl)methanimine (67201-01-8) → C19H18N2O4 + (1-amino-2-methyl-5-nitro-1-phenyl-1H-inden-3-yl)methyl acetate (1353546-57-2)

Guidance literature:

With (S)-3,5-di-tert-butyl-4-methoxyphenyl-(6,6’-dimethoxybiphenyl-2,2’-diyl)-bis(diphenylphosphine); [Rh(coe)₂OH]₂; In toluene; at 120 ℃; for 16h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1002/anie.201105766

upstream raw materials:

methyl propargyl alcohol

acetic anhydride

acetic acid

Downstream raw materials:

1-acetoxybutan-3-one

β-methylcinnamyl acetate

2-phenylbut-2-en-1-yl acetate

(1-amino-2-methyl-5-nitro-1-phenyl-1H-inden-3-yl)methyl acetate