1-Boc-3-Formylindole - ≥98% , CAS No.57476-50-3

CAS: 57476-50-3 Cat. No.: B589534 Formula: C₁₄H₁₅NO₃ Peso molecolare: 245.28 Numero EC: 827-428-8

GRADE & PURITY ≥98%

Synonyms

A15663 | BCP26869 | tert-butyl 3-formylindole-1-carboxylate | J-524540 | AB2740 | 1-t-butoxycarbonyl-3-formylindole | SY081294 | 1H-Indole-3-carboxaldehyde, N-BOC protected | MB00438 | 1-(tert-butyloxycarbonyl)-3-formylindole | EN300-119402 | MFCD00049230

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinonimi

A15663 | BCP26869 | tert-butyl 3-formylindole-1-carboxylate | J-524540 | AB2740 | 1-t-butoxycarbonyl-3-formylindole | SY081294 | 1H-Indole-3-carboxaldehyde, N-BOC protected | MB00438 | 1-(tert-butyloxycarbonyl)-3-formylindole | EN300-119402 | MFCD00049230

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508809050
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809050
• Sorrisi canonici: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=O
• IUPAC Name: tert-butyl 3-formylindole-1-carboxylate
• InChIKey: GDYHUGFAKMUUQL-UHFFFAOYSA-N
• INCHI: 1S/C14H15NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-9H,1-3H3
• Isomeri SMILES: CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=O
• Peso molecolare: 245.28
• Reaxy-Rn: 1532808
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1532808&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Aryl-aldehydes Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - Indole - Pyrrole-1-carboxylic acid or derivatives - Aryl-aldehyde - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous amide - Carbonic acid derivative - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Punto di fusione (°C): 119-121
• Peso molecolare: 245.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.105 Da
• Monoisotopic Mass: 245.105 Da
• Topological Polar Surface Area: 48.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 334.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1