Cas no 58686-68-3 (ethyl 3-(3-chlorophenyl)prop-2-ynoate)
Ethyl 3-(3-chlorophenyl)prop-2-ynoate is a chlorinated phenylpropynoate ester with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include an ethoxycarbonyl group and a terminal alkyne bonded to a 3-chlorophenyl moiety, enabling versatile reactivity in cross-coupling and cycloaddition reactions. The compound serves as a valuable building block for constructing complex heterocycles and functionalized aromatics. Its chlorine substituent enhances electrophilic reactivity while the ester group offers further derivatization potential. The product exhibits good stability under standard storage conditions and demonstrates compatibility with common organic solvents, facilitating its use in multistep synthetic routes. Its balanced reactivity profile makes it particularly useful in medicinal chemistry and materials science research.
58686-68-3 structure
Product Name:ethyl 3-(3-chlorophenyl)prop-2-ynoate
CAS No:58686-68-3
MF:C11H9ClO2
MW:208.640962362289
CID:948867
PubChem ID:641309
Update Time:2025-05-27
ethyl 3-(3-chlorophenyl)prop-2-ynoate Chemical and Physical Properties
Names and Identifiers
-
- (3-chloro-phenyl)-propynoic acid ethyl ester
- (3-chloro-phenyl)-propiolic acid ethyl ester
- (3-chlorophenyl)propynoic acid ethyl ester
- (3-Chlor-phenyl)-propiolsaeure-ethylester
- 2-propynoic acid, 3-(3-chlorophenyl)-, ethyl ester
- 3-Chlor-phenylpropiolsaeure-ethylester
- AC1LD2KP
- AG-G-07818
- CTK1G8575
- ethyl 3-chlorophenylpropiolate
- m-Chlor-phenyl-propiolsaeureethylester
- SureCN854291
- ethyl 3-(3-chlorophenyl)prop-2-ynoate
-
- Inchi： 1S/C11H9ClO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2H2,1H3
- InChI Key： OYXZPRMCXGEXCK-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C#CC(=O)OCC)=C1
Computed Properties
- Exact Mass: 208.02917
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
Experimental Properties
- PSA: 26.3
ethyl 3-(3-chlorophenyl)prop-2-ynoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B126618-5mg |
ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 5mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B126618-10mg |
ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 10mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B126618-50mg |
ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 50mg |
$ 95.00 | 2022-06-07 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1304198-100mg |
Ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 97% | 100mg |
￥684.00 | 2024-05-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1304198-250mg |
Ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 97% | 250mg |
￥1224.00 | 2024-05-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1304198-1g |
Ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 97% | 1g |
￥3024.00 | 2024-05-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1304198-5g |
Ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 97% | 5g |
￥9064.00 | 2024-05-07 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1304198-10g |
Ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 97% | 10g |
￥13600.00 | 2024-05-07 | |
| Enamine | EN300-134246-0.05g |
ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 94% | 0.05g |
$154.0 | 2023-02-15 | |
| Enamine | EN300-134246-0.1g |
ethyl 3-(3-chlorophenyl)prop-2-ynoate |
58686-68-3 | 94% | 0.1g |
$230.0 | 2023-02-15 |
ethyl 3-(3-chlorophenyl)prop-2-ynoate Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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