Ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate
Ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate structure
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Common Name | Ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 6972-81-2 | Molecular Weight | 141.168 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 195.0±29.0 °C at 760 mmHg | |
| Molecular Formula | C7H11NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 71.8±24.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ethyl 2,5-dihydropyrrole-1-carboxylate |
|---|---|
| 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.
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 195.0±29.0 °C at 760 mmHg |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.168 |
| Flash Point | 71.8±24.3 °C |
| Exact Mass | 141.078979 |
| PSA | 29.54000 |
| LogP | 0.62 |
| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
| Index of Refraction | 1.497 |
| InChIKey | WBMSKAUUSANFMN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)N1CC=CC1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~91%
Ethyl 2,5-dihyd... CAS#:6972-81-2 |
| Literature: Peeck, Lars H.; Savka, Roman D.; Plenio, Herbert Chemistry - A European Journal, 2012 , vol. 18, # 40 p. 12845 - 12853 |
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~72%
Ethyl 2,5-dihyd... CAS#:6972-81-2 |
| Literature: Kawaguchi, Mamoru; Hayashi, Osamu; Kanamoto, Masahiro; Hamada, Masayuki; Yamamoto, Yukio; Oda, Jun'ichi Agricultural and Biological Chemistry, 1987 , vol. 51, # 2 p. 435 - 440 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate |
| 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, ethyl ester |
| 1-ethoxycarbonyl-3-pyrroline |
| 1-carbethoxy-3-pyrroline |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: SMILES notation of ethyl 2,5-dihydropyrrole-1-carboxylate is CCOC(=O)N1CC=CC1. |
| Q: What is the Chinese name of 6972-81-2? |
| A: Chinese name of 6972-81-2 is 6972-81-2. |
| Q: What is the molecular weight of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: Molecular weight of ethyl 2,5-dihydropyrrole-1-carboxylate is 141.168. |
| Q: What is the CAS number of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: CAS number of ethyl 2,5-dihydropyrrole-1-carboxylate is 6972-81-2. |
| Q: What is the InChIKey of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: InChIKey of ethyl 2,5-dihydropyrrole-1-carboxylate is WBMSKAUUSANFMN-UHFFFAOYSA-N. |
| Q: What English synonyms does ethyl 2,5-dihydropyrrole-1-carboxylate have? |
| A: English synonyms of ethyl 2,5-dihydropyrrole-1-carboxylate: Ethyl 2,5-dihydro-1H-pyrrole-1-carboxylate, 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, ethyl ester, 1-ethoxycarbonyl-3-pyrroline, 1-carbethoxy-3-pyrroline. |
| Q: What is the LogP of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: LogP of ethyl 2,5-dihydropyrrole-1-carboxylate is 0.62. |
| Q: What is the molecular formula of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: Molecular formula of ethyl 2,5-dihydropyrrole-1-carboxylate is C7H11NO2. |
| Q: What are the downstream products of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: Related downstream products(CAS) of ethyl 2,5-dihydropyrrole-1-carboxylate: 109-96-6. |
| Q: What is the English name of ethyl 2,5-dihydropyrrole-1-carboxylate? |
| A: The English name of ethyl 2,5-dihydropyrrole-1-carboxylate is ethyl 2,5-dihydropyrrole-1-carboxylate. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |