(3-Methoxy-phenyl)-propynoic acid ethyl ester

Base Information

Chemical Name:(3-Methoxy-phenyl)-propynoic acid ethyl ester
CAS No.:58686-72-9
Molecular Formula:C12H12O3
Molecular Weight:204.225
Hs Code.:
DSSTox Substance ID:DTXSID10534447
Nikkaji Number:J2.700.765A
Wikidata:Q82408278
Mol file:58686-72-9.mol

Synonyms:58686-72-9;(3-METHOXY-PHENYL)-PROPYNOIC ACID ETHYL ESTER;Ethyl 3-(3-methoxyphenyl)prop-2-ynoate;SCHEMBL853918;DTXSID10534447;JIZYMAWJGKYVBG-UHFFFAOYSA-N;Ethyl 3-(3-methoxyphenyl)propiolate;MFCD07772993;CS-0347738;EN300-743608;(3-METHOXY-PHENYL)-PROPYNOICACIDETHYLESTER

Suppliers and Price of (3-Methoxy-phenyl)-propynoic acid ethyl 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

Rieke Metals
(3-Methoxy-phenyl)-propynoicacidethylester
5g
$ 1728.00

Rieke Metals
(3-Methoxy-phenyl)-propynoicacidethylester
1g
$ 661.00

American Custom Chemicals Corporation
(3-METHOXY-PHENYL)PROPYNOIC ACID ETHYL ESTER 95.00%
5MG
$ 496.75

Total 5 raw suppliers

Chemical Property of (3-Methoxy-phenyl)-propynoic acid ethyl ester

Chemical Property:

Boiling Point:314.6±25.0 °C(Predicted)
PSA：35.53000
Density:1.12±0.1 g/cm3(Predicted)
LogP:1.60980
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:204.078644241
Heavy Atom Count:15
Complexity:271

Purity/Quality:

97% ^*data from raw suppliers

(3-Methoxy-phenyl)-propynoicacidethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of (3-Methoxy-phenyl)-propynoic acid ethyl ester

There total 8 articles about (3-Methoxy-phenyl)-propynoic acid ethyl 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: 87.0%

: 58686-72-9
ethyl 3-(3-methoxyphenyl)propiolate

Guidance literature:

Reference yield: 83.0%

: 768-70-7
1-ethynyl-3-methoxybenzene

: 541-41-3
chloroformic acid ethyl ester

: 58686-72-9
ethyl 3-(3-methoxyphenyl)propiolate

Guidance literature:: 1-ethynyl-3-methoxybenzene; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

chloroformic acid ethyl ester; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.orglett.7b02452

Reference yield: 82.0%

: indium(III) chloride

: 766-85-8
3-methoxy-1-iodobenzene

: 623-47-2
propynoic acid ethyl ester

: 58686-72-9
ethyl 3-(3-methoxyphenyl)propiolate

Guidance literature:: propynoic acid ethyl ester; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.166667h; Inert atmosphere;

indium(III) chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.333333h; Inert atmosphere;

3-methoxy-1-iodobenzene; With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; hexane; at 80 ℃; for 2.5h; Inert atmosphere;
DOI:10.1055/s-0033-1339110