- Indolin-2-ones with High in Vivo Efficacy in a Model for Multiple SclerosisBouerat, Laeetitia; Fensholdt, Jef; Liang, Xifu; Havez, Sophie; Nielsen, Simon F.; et al, Journal of Medicinal Chemistry, 2005, 48(17), 5412-5414
Cas no 89909-51-3 (4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde)
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde is a brominated pyrrole derivative featuring a formyl functional group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds and pharmaceutical building blocks. The presence of both bromine and aldehyde groups enhances its reactivity, enabling selective functionalization through cross-coupling reactions or nucleophilic additions. Its stable crystalline form ensures ease of handling and storage. The dimethyl substitution pattern contributes to steric control in subsequent reactions, making it valuable for constructing complex molecular architectures. This reagent is commonly employed in medicinal chemistry and materials science research due to its well-defined reactivity profile.
89909-51-3 structure
Product Name:4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
CAS No:89909-51-3
MF:C7H8BrNO
MW:202.04852104187
MDL:MFCD08234561
CID:712461
PubChem ID:44718432
Update Time:2025-05-27
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
- 1H-Pyrrole-2-carboxaldehyde,4-bromo-3,5-dimethyl-
- 4‐BROMO‐3,5‐DIMETHYL‐1H‐PYRROLE‐2‐CARBALDEHYDE
- 1H-Pyrrole-2-carboxaldehyde,4-bromo-3,5-dimethyl
- 4-Brom-3,5-dimethyl-pyrrol-2-carbaldehyd
- 4-bromo-3,5-dimethyl-pyrrole-2-carbaldehyde
- 4-bromo-3,5-dimethylpyrrole-2-carboxaldehyde
- AK126216
- MZWOWXCHTRXTRI-UHFFFAOYSA-N
- FCH1324373
- AB43595
- AX8094983
- 4-bromo-3,5-dimethyl-pyrrole-2-carboxaldehyde
- 4-Bromo-3,5-dimethyl-1H-pyrrole-2-carboxaldehyde (ACI)
- 89909-51-3
- DTXSID10660331
- SY111682
- C77036
- AKOS016012922
- MFCD08234561
- CS-0153486
- DB-078545
- SCHEMBL2543556
- DS-5146
-
- MDL： MFCD08234561
- Inchi： 1S/C7H8BrNO/c1-4-6(3-10)9-5(2)7(4)8/h3,9H,1-2H3
- InChI Key： MZWOWXCHTRXTRI-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)C(Br)=C(C)N1
Computed Properties
- Exact Mass: 200.97900
- Monoisotopic Mass: 200.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 32.9
- XLogP3: 2
Experimental Properties
- Boiling Point: 294.2±35.0°C at 760 mmHg
- PSA: 32.86000
- LogP: 2.20650
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Inert atmosphere,2-8°C
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde 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%
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM197179-1g |
4-bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 1g |
$407 | 2021-08-05 | |
| Alichem | A109007655-250mg |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 250mg |
$189.66 | 2023-08-31 | |
| Alichem | A109007655-1g |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 1g |
$456.75 | 2023-08-31 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WD841-100mg |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95+% | 100mg |
117CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WD841-250mg |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95+% | 250mg |
285CNY | 2021-05-08 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B11225-1g |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 1g |
￥956.0 | 2022-10-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B11225-250mg |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 250mg |
￥382.0 | 2022-10-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | B11225-100mg |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 100mg |
￥219.0 | 2022-10-09 | |
| Chemenu | CM197179-250mg |
4-bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 250mg |
$*** | 2023-05-29 | |
| Chemenu | CM197179-1g |
4-bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde |
89909-51-3 | 95% | 1g |
$*** | 2023-05-29 |
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: N-Bromosuccinimide Catalysts: Benzoyl peroxide Solvents: Carbon tetrachloride ; reflux
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: 1,3-Dibromo-5,5-dimethylhydantoin Solvents: Tetrahydrofuran ; 10 min, -78 °C; 5 h, -78 °C → rt
1.2 Reagents: Potassium bisulfate Solvents: Water
1.2 Reagents: Potassium bisulfate Solvents: Water
Reference
- Synthesis and Structure-Activity Relationships of Tambjamines and B-Ring Functionalized Prodiginines as Potent AntimalarialsKancharla, Papireddy; Kelly, Jane Xu; Reynolds, Kevin A., Journal of Medicinal Chemistry, 2015, 58(18), 7286-7309
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Raw materials
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Preparation Products
4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde Related Literature
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
89909-51-3 (4-Bromo-3,5-dimethyl-1H-pyrrole-2-carbaldehyde) Related Products
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- 1092286-06-0(4-Bromo-3-methyl-1H-pyrrole-2-carboxylic acid)
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- 376587-53-0(5-bromo-3-methyl-pyridine-2-carbaldehyde)
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