2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester

Base Information

Chemical Name:2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester
CAS No.:7515-18-6
Molecular Formula:C10H7ClO2
Molecular Weight:194.617
Hs Code.:
DSSTox Substance ID:DTXSID20356531
Nikkaji Number:J1.059.723D
Wikidata:Q82135914

Synonyms:7515-18-6;methyl 3-(4-chlorophenyl)prop-2-ynoate;methyl 3-(4-chlorophenyl)propiolate;2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester;(4-chloro-phenyl)-propynoic acid methyl ester;methyl 3-(4-chlorophenyl)-2-propynoate;SCHEMBL1689714;DTXSID20356531;VAAXQAIHXHGPPC-UHFFFAOYSA-N;MFCD01830788;AKOS013859671;AS-68771;CS-0301810;M2894;EN300-743517;T72904;2-Propynoicacid,3-(4-chlorophenyl)-,methylester;AE-562/12222058

Suppliers and Price of 2-Propynoic acid, 3-(4-chlorophenyl)-, methyl 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 8 raw suppliers

Chemical Property of 2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:194.0134572
Heavy Atom Count:13
Complexity:240

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Propynoic acid, 3-(4-chlorophenyl)-, methyl ester

There total 25 articles about 2-Propynoic acid, 3-(4-chlorophenyl)-, methyl 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: 100.0%

: 67-56-1
methanol

: 2-bromo-1-(4-chlorophenyl)-3,3-difluorocyclopropene

: 7515-18-6
methyl 3-(p-chlorophenyl)-2-propynoate

Guidance literature:: Heating;

Reference yield: 89.0%

: 124-38-9,18923-20-1
carbon dioxide

: 78704-49-1
1-(4-chlorophenyl)-2-trimethylsilylacetylene

: 74-88-4
methyl iodide

: 7515-18-6
methyl 3-(p-chlorophenyl)-2-propynoate

Guidance literature:: carbon dioxide; With cesium fluoride; In N,N-dimethyl-formamide; at 120 ℃; Inert atmosphere;

1-(4-chlorophenyl)-2-trimethylsilylacetylene; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 18h; Inert atmosphere;
DOI:10.1021/acs.orglett.1c01171

Reference yield: 83.0%

: 22027-53-8
methyl 3-(4-chlorophenyl)-3-oxopropanoate

: 7515-18-6
methyl 3-(p-chlorophenyl)-2-propynoate

Guidance literature:: methyl 3-(4-chlorophenyl)-3-oxopropanoate; With lithium hexamethyldisilazane; In tetrahydrofuran; ethylbenzene; at -70 ℃; for 0.5h; Inert atmosphere;

With diethyl chlorophosphate; In tetrahydrofuran; ethylbenzene; at -78 - 20 ℃; for 0.5h; Inert atmosphere;

With lithium hexamethyldisilazane; In tetrahydrofuran; ethylbenzene; at -78 ℃; for 1h; Inert atmosphere;
DOI:10.1139/cjc-2016-0181