5-Iodo-A-85380, 5-trimethylstannyl N-BOC derivative - ≥98%(HPLC) , CAS No.213766-21-3

CAS: 213766-21-3 Cat. No.: I286929 Peso molecular: 427.11

GRADE & PURITY ≥98%(HPLC)

Synonyms

J-014019 | tert-Butyl (S)-2-(((5-(trimethylstannyl)pyridin-3-yl)oxy)methyl)azetidine-1-carboxylate | Tert-butyl (2S)-2-[(5-trimethylstannylpyridin-3-yl)oxymethyl]azetidine-1-carboxylate | 3-[[1-(tert-butoxycarbonyl)-2(S)-azetidinyl]methoxy]-5-(trimethylst

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

J-014019 | tert-Butyl (S)-2-(((5-(trimethylstannyl)pyridin-3-yl)oxy)methyl)azetidine-1-carboxylate | Tert-butyl (2S)-2-[(5-trimethylstannylpyridin-3-yl)oxymethyl]azetidine-1-carboxylate | 3-[[1-(tert-butoxycarbonyl)-2(S)-azetidinyl]methoxy]-5-(trimethylst

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC1COC2=CC(=CN=C2)[Sn](C)(C)C
• IUPAC Name: tert-butyl (2S)-2-[(5-trimethylstannylpyridin-3-yl)oxymethyl]azetidine-1-carboxylate
• InChIKey: HHNYNAVVSDTMQD-HZAYLZKLSA-N
• INCHI: 1S/C14H19N2O3.3CH3.Sn/c1-14(2,3)19-13(17)16-8-6-11(16)10-18-12-5-4-7-15-9-12;;;;/h5,7,9,11H,6,8,10H2,1-3H3;3*1H3;/t11-;;;;/m0..../s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC[C@H]1COC2=CC(=CN=C2)[Sn](C)(C)C
• Peso molecular: 427.11
• Reaxy-Rn: 23720038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23720038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives Metal aryls Heteroaromatic compounds Carbamate esters Trialkyltins Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Azetidinecarboxylic acid - Metal aryl - Pyridine - Heteroaromatic compound - Carbamic acid ester - Trialkyltin - Ether - Azacycle - Organic nitrogen compound - Organotin compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organometallic compound - Organic post-transition metal moeity - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol and in DMSO
• Peso molecular: 427.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 428.112 Da
• Monoisotopic Mass: 428.112 Da
• Topological Polar Surface Area: 51.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 417.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

XLogP3