1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester
1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester structure
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Common Name | 1H-Pyrrole-2-carboxylic acid, 4-bromo-3,5-dimethyl-, ethyl ester | ||
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| CAS Number | 5408-07-1 | Molecular Weight | 246.10100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C9H12BrNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate |
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| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C9H12BrNO2 |
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| Molecular Weight | 246.10100 |
| Exact Mass | 245.00500 |
| PSA | 42.09000 |
| LogP | 2.57070 |
| InChIKey | POLBZQUAKJYNIF-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1[nH]c(C)c(Br)c1C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~81%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: WARNER-LAMBERT COMPANY LLC Patent: WO2005/56004 A1, 2005 ; Location in patent: Page/Page column 51; 125 ; |
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~97%
1H-Pyrrole-2-ca... CAS#:5408-07-1
Learn More
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| Literature: Angelini, Giancarlo; Illuminati, Gabriello; Monaci, Anna; Sleiter, Giancarlo; Speranza, Maurizio Journal of the American Chemical Society, 1980 , vol. 102, # 4 p. 1377 - 1382 |
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~65%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: Monti, Donato; Sleiter, Giancarlo Gazzetta Chimica Italiana, 1990 , vol. 120, p. 771 - 774 |
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~66%
1H-Pyrrole-2-ca... CAS#:5408-07-1
Learn More
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| Literature: Monti, Donato; Sleiter, Giancarlo Gazzetta Chimica Italiana, 1990 , vol. 120, p. 771 - 774 |
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~%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: Fischer; Ernst Justus Liebigs Annalen der Chemie, 1926 , vol. 447, p. 153 |
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~%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: Fischer et al. Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1943 , vol. 279, p. 1,19 |
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~%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: Fischer et al. Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1943 , vol. 279, p. 1,19 |
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~%
1H-Pyrrole-2-ca... CAS#:5408-07-1 |
| Literature: Fischer; Loewe Justus Liebigs Annalen der Chemie, 1958 , vol. 615, p. 124,128 |
![ethyl 4-[bis(acetoxy)thallio]-3,5-dimethylpyrrole-2-carboxylate structure](https://image.chemsrc.com/caspic/131/131992-04-6.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
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| DownStream 5 | |
CAS#:3284-47-7
CAS#:29170-87-4
CAS#:3274-67-7
CAS#:2199-46-4
CAS#:89909-42-2This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,4-dimethyl-3-bromo-5-carbethoxy pyrrole |
| ethyl 4-bromo-3,5-dimethylpyrrole-2-carboxylate |
| 1H-Pyrrole-2-carboxylic acid,4-bromo-3,5-dimethyl-,ethyl ester |
| 4-bromo-2-ethoxycarbonyl-3,5-dimethylpyrrole |
| 4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester |
| 4-Brom-3,5-dimethyl-pyrrol-2-carbonsaeure-aethylester |
| 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: Molecular weight of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 246.10100. |
| Q: What is the SMILES notation of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: SMILES notation of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(Br)c1C. |
| Q: What is the polar surface area (PSA) of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: Polar surface area (PSA) of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 42.09000. |
| Q: What is the CAS number of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: CAS number of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 5408-07-1. |
| Q: What are the downstream products of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: Related downstream products(CAS) of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate: 3284-47-7;29170-87-4;3274-67-7;2199-46-4;89909-42-2. |
| Q: What are the upstream materials of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: Related upstream materials(CAS) of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate: 2199-44-2;73652-60-5;131992-04-6;7789-45-9;56-23-5;600-31-7;595-45-9;64-19-7. |
| Q: What English synonyms does ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate have? |
| A: English synonyms of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate: 2,4-dimethyl-3-bromo-5-carbethoxy pyrrole, ethyl 4-bromo-3,5-dimethylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid,4-bromo-3,5-dimethyl-,ethyl ester, 4-bromo-2-ethoxycarbonyl-3,5-dimethylpyrrole, 4-bromo-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester, 4-Brom-3,5-dimethyl-pyrrol-2-carbonsaeure-aethylester, 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester. |
| Q: What is the molecular formula of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: Molecular formula of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is C9H12BrNO2. |
| Q: What is the English name of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: The English name of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate. |
| Q: What is the LogP of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate? |
| A: LogP of ethyl 4-bromo-3,5-dimethyl-1h-pyrrole-2-carboxylate is 2.57070. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |