Cas no 85795-19-3 (Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate)
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate is a versatile pyrrole derivative with applications in organic synthesis and pharmaceutical research. Its structure features both acetyl and ester functional groups, enabling reactivity in condensation, substitution, and cyclization reactions. The compound serves as a valuable intermediate in the preparation of heterocyclic compounds, particularly in the development of bioactive molecules. Its stability under standard conditions and well-defined reactivity profile make it suitable for controlled synthetic transformations. The presence of the methyl ester group enhances solubility in common organic solvents, facilitating purification and handling. This compound is particularly useful in medicinal chemistry for constructing complex pharmacophores.
85795-19-3 structure
Product Name:Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate
CAS No:85795-19-3
MF:C9H11NO3
MW:181.188542604446
MDL:MFCD00141903
CID:1072630
PubChem ID:2764011
Update Time:2025-06-07
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate
- 85795-19-3
- methyl 4-acetyl-1-methylpyrrole-2-carboxylate
- J-522285
- AKOS005070589
- CS-0456292
- FT-0765325
- 5D-163
- DTXSID00377249
- EN300-1831597
- SCHEMBL11063029
- MFCD00141903
- Z210258808
- DA-19739
-
- MDL： MFCD00141903
- Inchi： 1S/C9H11NO3/c1-6(11)7-4-8(9(12)13-3)10(2)5-7/h4-5H,1-3H3
- InChI Key： YHKGXMRDJTWJIL-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC(C(C)=O)=CN1C)=O
Computed Properties
- Exact Mass: 181.07389321g/mol
- Monoisotopic Mass: 181.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 227
- 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: 0.5
- Topological Polar Surface Area: 48.3?2
Experimental Properties
- Density: 1.1±0.1 g/cm3
- Melting Point: 91-93°C
- Boiling Point: 310.1±27.0 °C at 760 mmHg
- Flash Point: 141.4±23.7 °C
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-36/37/39
- HazardClass：IRRITANT
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM309195-1g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 1g |
$478 | 2021-08-18 | |
| Apollo Scientific | OR32821-1g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 1g |
￡336.00 | 2025-02-20 | |
| Ambeed | A592348-1g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95+% | 1g |
$1222.0 | 2025-04-16 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1526959-1g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 98% | 1g |
￥4471.00 | 2024-07-28 | |
| Chemenu | CM309195-1g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 1g |
$*** | 2023-05-29 | |
| abcr | AB158080-1 g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate; . |
85795-19-3 | 1g |
€439.20 | 2023-06-23 | ||
| Apollo Scientific | OR32821-500mg |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 500mg |
￡210.00 | 2025-02-20 | |
| Apollo Scientific | OR32821-5g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 5g |
￡1008.00 | 2025-02-20 | |
| Apollo Scientific | OR32821-10g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 10g |
￡1680.00 | 2025-02-20 | |
| Apollo Scientific | OR32821-25g |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate |
85795-19-3 | 95% | 25g |
￡3696.00 | 2025-02-20 |
Methyl 4-acetyl-1-methyl-1H-pyrrole-2-carboxylate Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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