Cas no 7517-81-9 (2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester)
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester is a specialized organic compound featuring a propynoic acid backbone substituted with a 2-chlorophenyl group and esterified with methanol. This structure imparts reactivity suitable for applications in synthetic organic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, or functional materials. The presence of both alkyne and ester functionalities offers versatility in further derivatization, such as click chemistry or cross-coupling reactions. The 2-chlorophenyl moiety may enhance steric and electronic properties, influencing selectivity in synthesis. The compound is typically handled under controlled conditions due to its potential sensitivity to moisture or heat. Proper storage and handling are recommended to maintain stability.
7517-81-9 structure
Product Name:2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester
CAS No:7517-81-9
MF:C10H7ClO2
MW:194.61438202858
MDL:MFCD03230764
CID:539983
PubChem ID:825796
Update Time:2025-06-08
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester
- methyl 3-(2-chlorophenyl)prop-2-ynoate
- methyl 3-?(2-?chlorophenyl)?-?2-?propynoate
- AE-562/12222054
- AKOS006278869
- ZFZAZEWQSDUUER-UHFFFAOYSA-N
- SCHEMBL852910
- 7517-81-9
- methyl 3-(2-chlorophenyl)propiolate
- methyl 3-(2-chlorophenyl)-2-propynoate
- DTXSID50356529
- (2-chloro-phenyl)-propynoic acid methyl ester
- EN300-743596
- FT-0739163
- methyl3-(2-chlorophenyl)propiolate
-
- MDL： MFCD03230764
- Inchi： 1S/C10H7ClO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,1H3
- InChI Key： ZFZAZEWQSDUUER-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C#CC(=O)OC
Computed Properties
- Exact Mass: 194.01351
- Monoisotopic Mass: 194.0134572g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1012555-5g |
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester |
7517-81-9 | 95% | 5g |
$1950 | 2024-07-28 | |
| Enamine | EN300-743596-0.05g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 0.05g |
$31.0 | 2024-05-23 | |
| Enamine | EN300-743596-0.1g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 0.1g |
$46.0 | 2024-05-23 | |
| Enamine | EN300-743596-0.25g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 0.25g |
$65.0 | 2024-05-23 | |
| Enamine | EN300-743596-0.5g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 0.5g |
$116.0 | 2024-05-23 | |
| Enamine | EN300-743596-1.0g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 1.0g |
$185.0 | 2024-05-23 | |
| Enamine | EN300-743596-2.5g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 2.5g |
$362.0 | 2024-05-23 | |
| Enamine | EN300-743596-5.0g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 5.0g |
$535.0 | 2024-05-23 | |
| Enamine | EN300-743596-10.0g |
methyl 3-(2-chlorophenyl)prop-2-ynoate |
7517-81-9 | 95% | 10.0g |
$793.0 | 2024-05-23 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1537017-25mg |
Methyl 3-(2-chlorophenyl)propiolate |
7517-81-9 | 98% | 25mg |
￥1999.00 | 2024-07-28 |
2-Propynoic acid, 3-(2-chlorophenyl)-, methyl ester Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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