Cas no 865365-85-1 (1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl-)
4-Chloro-5-ethynyl-1H-pyrrolo[2,3-d]pyrimidine is a versatile heterocyclic compound featuring a chloro-substituted pyrrolopyrimidine core with an ethynyl functional group at the 5-position. This structure offers significant reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The chloro group facilitates nucleophilic substitution reactions, while the ethynyl moiety enables click chemistry and cross-coupling applications, such as Sonogashira reactions. Its rigid fused-ring system enhances binding affinity in medicinal chemistry, particularly for kinase inhibitors and nucleoside analogs. The compound's high purity and stability ensure reliable performance in research and industrial applications. Its modular design allows for further functionalization, supporting diverse synthetic pathways in drug discovery and material science.
![1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl- structure](https://ossimg.kuujia.com/scimg/865500/865365-85-1x500.png)
865365-85-1 structure
Product Name:1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl-
CAS No:865365-85-1
MF:C8H4ClN3
MW:177.590459823608
CID:4257365
PubChem ID:11298278
Update Time:2025-06-07
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl-
- 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl-
- 4-Chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine
- 865365-85-1
- SCHEMBL1737697
- EN300-821248
-
- Inchi： 1S/C8H4ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h1,3-4H,(H,10,11,12)
- InChI Key： GQMQSKGUGDHONH-UHFFFAOYSA-N
- SMILES： C1=NC(Cl)=C2C(C#C)=CNC2=N1
Computed Properties
- Exact Mass: 177.0093748Da
- Monoisotopic Mass: 177.0093748Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 222
- 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: 1.9
- Topological Polar Surface Area: 41.6?2
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-821248-0.05g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 0.05g |
$827.0 | 2025-03-21 | |
| Enamine | EN300-821248-0.1g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 0.1g |
$867.0 | 2025-03-21 | |
| Enamine | EN300-821248-0.25g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 0.25g |
$906.0 | 2025-03-21 | |
| Enamine | EN300-821248-0.5g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 0.5g |
$946.0 | 2025-03-21 | |
| Enamine | EN300-821248-1.0g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 1.0g |
$986.0 | 2025-03-21 | |
| Enamine | EN300-821248-2.5g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 2.5g |
$1931.0 | 2025-03-21 | |
| Enamine | EN300-821248-5.0g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 5.0g |
$2858.0 | 2025-03-21 | |
| Enamine | EN300-821248-10.0g |
4-chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 95.0% | 10.0g |
$4236.0 | 2025-03-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1679837-1g |
4-Chloro-5-ethynyl-7H-pyrrolo[2,3-d]pyrimidine |
865365-85-1 | 98% | 1g |
￥11923.00 | 2024-04-28 |
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethynyl- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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