Basic information
- CAS
54278-05-6- Standard SMILES
CCOC(=O)c1[nH]c(C=O)c(CCC(=O)OC)c1C- InChIKey
FKTKTQYEWVQOAU-UHFFFAOYSA-N- Molecular formula
- C13H17NO5
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.11067264
Names & identifiers
- Preferred name
- 5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrole-3-propanoic Acid Methyl Ester
- IUPAC
- ethyl 5-formyl-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylate
- English name
- 5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrole-3-propanoic Acid Methyl Ester
- Molecular formula
- C13H17NO5
- Molecular weight
- 267.28
Names & synonyms
54278-05-65-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrole-3-propanoic Acid Methyl Esterethyl 5-formyl-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylateFKTKTQYEWVQOAU-UHFFFAOYSA-Nstarbld0006882SCHEMBL6410246DTXSID40573768AS-87371DB-306269H552225-Formyl-4-(2-methoxycarbonyl-ethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester5-formyl-4-(2-methoxycarbonylethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
Show more names
5-ethoxycarbonyl-3-(2-methoxycarbonyl)ethyl-4-methylpyrrole-2-carboxaldehyde1H-Pyrrole-3-propanoic acid, 5-(ethoxycarbonyl)-2-formyl-4-methyl-, methyl ester
Database identifiers
- CAS
54278-05-6
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- solubility
- Ethyl Acetate
- form
- Oil
- color
- Brown
Chemistry & industry
Applications
Uses5-(Ethoxycarbonyl)-2-forMyl-4-Methyl-1H-pyrrole-3-propanoic Acid Methyl Ester is a reagent used to synthesize many pyrrole derivatives
Upstream & downstream products
Upstream raw materials
Suppliers11 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉永璨生物科技有限公司17702719238 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉永璨生物科技有限公司+86-027-6552-2453 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Aladdin Scientific[email protected]
北京百灵威科技有限公司
Related reactions
6 records
Compound notes
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