Alternatived Products of [ 4778-76-1 ]
Product Details of [ 4778-76-1 ]
| CAS No. : | 4778-76-1 |
MDL No. : | MFCD08704772 |
| Formula : |
C7H9NO2
|
Boiling Point : |
- |
| Linear Structure Formula : | - |
InChI Key : | - |
| M.W : |
139.15
|
Pubchem ID : | - |
| Synonyms : |
|
Safety of [ 4778-76-1 ]
| Signal Word: | |
Class: | |
| Precautionary Statements: | |
UN#: | |
| Hazard Statements: | |
Packing Group: | |
Application In Synthesis of [ 4778-76-1 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 4778-76-1 ]
- 1
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[ 4778-76-1 ]
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[ 27019-47-2 ]
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3-[(1-ethyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-propionic acid benzyl ester
[ No CAS ]
- 2
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[ 73058-14-7 ]
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[ 4778-76-1 ]
| Yield | Reaction Conditions | Operation in experiment |
| 93% |
With sodium hydroxide at 60℃; for 11h; |
|
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With methanol; potassium hydroxide; lithium hydroxide monohydrate at 20℃; for 8h; |
|
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With methanol; lithium hydroxide monohydrate; sodium hydroxide at 50℃; for 3h; |
278
A mixture of methyl 1-ethylpyrrole-2-carboxylate (950 mg, 6.20 mmol, n/a purity, 1 eq) and sodium hydroxide (3 M, 10 mL, 4.9 eq) in methanol (5 mL) was stirred at 50 °C for 3 h.3M HCl (10 mL) was added to the mixture until the pH was adjusted to 4-5. The reaction mixture was extracted with DCM (30mL x 2). The combined organic layers were washed with brine (30 mL), dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo to give the product. The crude product 1-ethylpyrrole- 2-carboxylic acid (550 mg, crude) was obtained as a white solid, which was used into the next step without further purification. LC-MS (ES+, m/z): 140.0 [(M+H)+]. |
|
With methanol; lithium hydroxide monohydrate; sodium hydroxide at 50℃; for 3h; |
278
A mixture of methyl 1-ethylpyrrole-2-carboxylate (950 mg, 6.20 mmol, n/a purity, 1 eq) and sodium hydroxide (3 M, 10 mL, 4.9 eq) in methanol (5 mL) was stirred at 50 °C for 3 h.3M HCl (10 mL) was added to the mixture until the pH was adjusted to 4-5. The reaction mixture was extracted with DCM (30mL x 2). The combined organic layers were washed with brine (30 mL), dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo to give the product. The crude product 1-ethylpyrrole- 2-carboxylic acid (550 mg, crude) was obtained as a white solid, which was used into the next step without further purification. LC-MS (ES+, m/z): 140.0 [(M+H)+]. |
Reference：
[1]Mizuno; Miya; Kamei; Shibata; Tatsuoka; Nakanishi; Takiguchi; Hidaka; Yamaki; Inomata
[Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 8, p. 1129 - 1137]
[2]Location in patent: body text
Teng, Xin; Keys, Heather; Yuan, Junying; Degterev, Alexei; Cuny, Gregory D.
[Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 11, p. 3219 - 3223]
[3]Current Patent Assignee: PMV PHARMACEUTICALS INC - WO2021/231474, 2021, A1
Location in patent: Paragraph 01152-01153
[4]Current Patent Assignee: PMV PHARMACEUTICALS INC - WO2021/231474, 2021, A1
Location in patent: Paragraph 01152-01153
- 3
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[ 4778-76-1 ]
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[ 15205-15-9 ]
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[ 1100572-02-8 ]
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110K+ Compounds
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