Cas no 54738-73-7 (3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one)
3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one is a heterocyclic compound featuring a pyrazolo[3,4-d]pyrimidine core with a bromo substituent at the 3-position. This structure serves as a versatile intermediate in medicinal chemistry, particularly in the synthesis of kinase inhibitors and other biologically active molecules. The bromo group enhances reactivity, enabling further functionalization via cross-coupling reactions, while the fused pyrazolo-pyrimidine scaffold contributes to its binding affinity with target proteins. Its high purity and stability make it suitable for research applications in drug discovery and development. The compound’s well-defined synthetic route ensures reproducibility, supporting its use in both academic and industrial settings.
54738-73-7 structure
Product Name:3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one
CAS No:54738-73-7
MF:C5H3BrN4O
MW:215.007519006729
MDL:MFCD00835293
CID:381134
PubChem ID:135493710
Update Time:2025-10-29
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 3-Bromo-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- 3-bromo-1h-pyrazolo[3,4-d]pyrimidin-4-ol
- 3-bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
- 3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one
- 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
- 4H-Pyrazolo[3,4-d]pyrimidin-4-one,3-bromo-1,5-dihydro-
- 3-Bromo-4-hydroxypyrazolo[3,4-d]pyrimidine
- NSC 344532
- CHEMBL4870178
- AKOS004910255
- 3-bromo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
- 54738-73-7
- AKOS015962529
- FT-0646318
- NSC-344532
- DTXSID20319383
- MFCD00835293
- 3-Bromo-1,7-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
- 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-bromo-1,5-dihydro-
- SCHEMBL6433606
- FS-2744
- CS-W005605
- Z1101094220
- KAHCKNUEZSETEP-UHFFFAOYSA-N
- 3-Bromo-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- 3-Bromo-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
- NSC344532
- 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 3-bromo-1,5-dihydro-
- AC-17201
- InChI=1/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
- EN300-69226
- 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
- AMY27370
- AKOS015836068
- Benzoic acid, 5-bromo-2-fluoro-4-methoxy-
- KAHCKNUEZSETEP-UHFFFAOYSA-
- 3-BROMO-1H,2H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
- DB-071903
- 3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one
-
- MDL： MFCD00835293
- Inchi： 1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
- InChI Key： KAHCKNUEZSETEP-UHFFFAOYSA-N
- SMILES： BrC1=C2C(NC=NC2=NN1)=O
Computed Properties
- Exact Mass: 213.94900
- Monoisotopic Mass: 213.949
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 316
- 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
- Topological Polar Surface Area: 65.8A^2
- XLogP3: 0.4
Experimental Properties
- Color/Form: No data avaiable
- Density: 2.54±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 350 oC
- Boiling Point: 473.1℃ at 760 mmHg
- Flash Point: 239.92 °C
- Refractive Index: 1.834
- Solubility: Almost insoluble (0.065 g/l) (25 o C),
- PSA: 74.43000
- LogP: 0.40870
- Vapor Pressure: 0.0±1.2 mmHg at 25°C
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one Security Information
- Signal Word：Warning
- Hazard Statement： H302 (100%) H315 (100%) H319 (100%)
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H302 (100%) H315 (100%) H319 (100%)
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LS208-1g |
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one |
54738-73-7 | 98% | 1g |
264.0CNY | 2021-08-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LS208-250mg |
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one |
54738-73-7 | 98% | 250mg |
93CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LS208-5g |
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one |
54738-73-7 | 98% | 5g |
1191CNY | 2021-05-08 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB02482-50g |
3-bromo-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one |
54738-73-7 | 95% | 50g |
$1275 | 2023-09-07 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B828123-5g |
3-bromo-1h-pyrazolo[3,4-d]pyrimidin-4-ol |
54738-73-7 | 95% | 5g |
828.00 | 2021-05-17 | |
| Matrix Scientific | 072311-1g |
3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one, 95+% |
54738-73-7 | 95+% | 1g |
$130.00 | 2023-09-06 | |
| Matrix Scientific | 072311-5g |
3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one, 95+% |
54738-73-7 | 95+% | 5g |
$380.00 | 2023-09-06 | |
| Matrix Scientific | 072311-10g |
3-Bromo-1,5-dihydro-4H-pyrazolo-[3,4-d]pyrimidin-4-one, 95+% |
54738-73-7 | 95+% | 10g |
$587.00 | 2023-09-06 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-LS208-200mg |
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one |
54738-73-7 | 98% | 200mg |
68.0CNY | 2021-08-05 | |
| TRC | B691388-100mg |
3-Bromo-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one |
54738-73-7 | 100mg |
$ 81.00 | 2023-04-18 |
3-Bromo-1,5-dihydro-4h-pyrazolo3,4-dpyrimidin-4-one Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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