Cas no 848178-49-4 (Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate)
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate is a specialized organic compound featuring a chlorothiophene moiety linked to a dioxobutanoate ester group. This structure imparts reactivity suitable for applications in pharmaceutical and agrochemical synthesis, particularly as an intermediate in the preparation of heterocyclic compounds. The presence of both carbonyl and ester functionalities enhances its versatility in condensation and cyclization reactions. The chlorothiophene component contributes to its potential as a building block for bioactive molecules. Its well-defined molecular architecture ensures consistent performance in synthetic pathways, making it a valuable reagent for researchers developing novel compounds with tailored properties.
848178-49-4 structure
Product Name:Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate
CAS No:848178-49-4
MF:C9H7ClO4S
MW:246.667480707169
CID:3108405
PubChem ID:4962746
Update Time:2025-06-29
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 4-(5-chlorothien-2-yl)-2,4-dioxobutanoate
- methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
- G26585
- 848178-49-4
- DTXSID201248742
- AKOS009016551
- NCGC00341324-01
- methyl4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
- SR-01000072422-1
- Z94601373
- 993-744-9
- Methyl 5-chloro-alpha,gamma-dioxo-2-thiophenebutanoate
- DTXCID301679566
- EN300-13949
- AB01331773-02
- SR-01000072422
- Methyl 5-chloro-I+/-,I(3)-dioxo-2-thiophenebutanoate
- Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate
-
- Inchi： 1S/C9H7ClO4S/c1-14-9(13)6(12)4-5(11)7-2-3-8(10)15-7/h2-3H,4H2,1H3
- InChI Key： PRBFOJLTYZLZGW-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C(CC(C(=O)OC)=O)=O)S1
Computed Properties
- Exact Mass: 245.9753576Da
- Monoisotopic Mass: 245.9753576Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 292
- 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: 2.5
- Topological Polar Surface Area: 88.7?2
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B499890-25mg |
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B499890-50mg |
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 50mg |
$ 95.00 | 2022-06-07 | ||
| TRC | B499890-250mg |
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 250mg |
$ 320.00 | 2022-06-07 | ||
| Enamine | EN300-13949-0.05g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 0.05g |
$66.0 | 2023-02-09 | |
| Enamine | EN300-13949-0.1g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 0.1g |
$98.0 | 2023-02-09 | |
| Enamine | EN300-13949-0.25g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 0.25g |
$142.0 | 2023-02-09 | |
| Enamine | EN300-13949-0.5g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 0.5g |
$271.0 | 2023-02-09 | |
| Enamine | EN300-13949-1.0g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 1.0g |
$371.0 | 2023-02-09 | |
| Enamine | EN300-13949-2.5g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 2.5g |
$726.0 | 2023-02-09 | |
| Enamine | EN300-13949-5.0g |
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate |
848178-49-4 | 95% | 5.0g |
$1074.0 | 2023-02-09 |
Methyl 4-(5-Chlorothiophen-2-yl)-2,4-dioxobutanoate Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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