Benzeneacetic acid, 2-propynyl ester

Base Information

Chemical Name:Benzeneacetic acid, 2-propynyl ester
CAS No.:72928-39-3
Molecular Formula:C11H10O2
Molecular Weight:174.199
Hs Code.:
NSC Number:6572
DSSTox Substance ID:DTXSID8072669
Nikkaji Number:J447.269A
Wikidata:Q82000834
Mol file:72928-39-3.mol

Synonyms:Benzeneacetic acid, 2-propynyl ester;prop-2-ynyl 2-phenylacetate;72928-39-3;2-Propynyl benzeneacetate;Benzeneacetic acid, 2-propyn-1-yl ester;propargyl phenylacetate;DTXSID8072669;NSC6572;2-Phenylacetic acid propargyl ester;NSC 6572;NSC-6572;2-Phenylacetic acid, propargyl ester

Suppliers and Price of Benzeneacetic acid, 2-propynyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Benzeneacetic acid, 2-propynyl ester

Chemical Property:

Vapor Pressure:0.00538mmHg at 25°C
Boiling Point:274.5°Cat760mmHg
Flash Point:109.7°C
PSA：26.30000
Density:1.095g/cm³
LogP:1.40550
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:174.068079557
Heavy Atom Count:13
Complexity:205

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CCOC(=O)CC1=CC=CC=C1

Technology Process of Benzeneacetic acid, 2-propynyl ester

There total 4 articles about Benzeneacetic acid, 2-propynyl ester 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: 90.0%

: 103-82-2
phenylacetic acid

: 107-19-7
propargyl alcohol

: 72928-39-3
prop-2-yn-1-yl 2-phenylacetate

Guidance literature:: With glucose-diphenylaminium tosylate-derived carbon solid acid (GDTCSA); In n-heptane; at 80 ℃; for 24h;
DOI:10.1039/c4gc01395f

Reference yield: 83.0%

: 107-19-7
propargyl alcohol

: 103-80-0
phenylacetyl chloride

: 72928-39-3
prop-2-yn-1-yl 2-phenylacetate

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 5.25h; Inert atmosphere; Schlenk technique;
DOI:10.1055/s-0039-1690264