CAS
7126-44-5 Purity
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7126-44-5 Purity
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Ethyl 4-formyl-1H-pyrrole-2-carboxylate
CAS
7126-57-0
Catalog Number
ACM7126570
Category
Other Products
Molecular Weight
166.15
Molecular Formula
C8H8NO3
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- Synthetic Use
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Specification
Synonyms
NSC272668, CID321486, ZINC01561235, AKY-A0602-0894, 7126-57-0
IUPAC Name
ethyl 4-formyl-1H-pyrrole-2-carboxylate
Canonical SMILES
CCOC(=O)C1=CC(=CN1)C=O
InChI Key
WVSAWXIWWNJTAV-UHFFFAOYSA-N
Boiling Point
335.2ºC at 760 mmHg
Density
1.249 g/cm³
Exact Mass
167.05800
H-Bond Acceptor
3
H-Bond Donor
1
Upstream Synthesis Route 1
- 2199-43-1
- 68-12-2
- 7126-50-3
- 7126-57-0
Reference: [1] Journal of Organic Chemistry, 1993, vol. 58, # 25, p. 7245 - 7257
Upstream Synthesis Route 2
- 4885-02-3
- 2199-43-1
- 7126-57-0
Reference: [1]Bioorganic and Medicinal Chemistry Letters,1996,vol. 6,p. 2853 - 2858
[2]Patent: EP2460794,2012,A1 .Location in patent: Page/Page column 99
[3]Journal of Organic Chemistry,1988,vol. 53,p. 403 - 407
[4]Patent: WO2022/12409,2022,A1 .Location in patent: Page/Page column 47
[5]Patent: TW2020/21972,2020,A .Location in patent: Paragraph 0039-0043
Upstream Synthesis Route 3
- 2199-43-1
- 33513-42-7
- 7126-50-3
- 7126-57-0
Reference: [1]Journal of Organic Chemistry,1993,vol. 58,p. 7245 - 7257
Downstream Synthesis Route 1
- 1071-46-1
- 7126-57-0
- 91642-23-8
Reference: [1]Tetrahedron,1989,vol. 45,p. 6645 - 6652
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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