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

CAS: 57476-50-3 Cat. No.: B589534 Summenformel: C₁₄H₁₅NO₃ Molekulargewicht: 245.28 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809050

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809050

Kanonisches Lächeln

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

Isomere SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C=O

Molekulargewicht

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
    • Klasse Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 119-121
• Molekulargewicht: 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