(S)-3-Aminotetrahidrofurano tosilato - ≥97% , CAS No.104530-80-5

CAS: 104530-80-5 Cat. No.: I132595 Peso molecular: 259.32 Número EC: 635-350-9

GRADE & PURITY ≥97%

Synonyms

RB4029 | 4-methylbenzenesulfonic acid;(3S)-oxolan-3-amine | (S)-3-Aminotetrahydrofuran tosylate | AM20120592 | C11H17NO4S | (S)-(-)-3-aminotetrahydrofuran p-toluenesulfonate | (S)-3-Aminotetrahydrofuran tosylate, 97% | BZXPLADBSZWDIH-VWMHFEHESA-N | AKOS01

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Descripción general

Aplicación：

el (S)-3-tetrahidrofurano tosilato puede utilizarse como reactivo en la síntesis de oxadiazolil-quinolinil-N-(piranil)piperidinaminas como potenciales antagonistas del receptor κ-opioide (KOR). También puede utilizarse en la preparación de derivados de N-(4-fluoro-3-metil-fenil)-3-[[(3S)-tetrahidrofurano-3-il]-sulfamoil]benzamida.

Specifications

Sinónimos

RB4029 | 4-methylbenzenesulfonic acid;(3S)-oxolan-3-amine | (S)-3-Aminotetrahydrofuran tosylate | AM20120592 | C11H17NO4S | (S)-(-)-3-aminotetrahydrofuran p-toluenesulfonate | (S)-3-Aminotetrahydrofuran tosylate, 97% | BZXPLADBSZWDIH-VWMHFEHESA-N | AKOS01

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488198618
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)O.C1COCC1N
• IUPAC Name: 4-methylbenzenesulfonic acid;(3S)-oxolan-3-amine
• InChIKey: BZXPLADBSZWDIH-VWMHFEHESA-N
• INCHI: 1S/C7H8O3S.C4H9NO/c1-6-2-4-7(5-3-6)11(8,9)10;5-4-1-2-6-3-4/h2-5H,1H3,(H,8,9,10);4H,1-3,5H2/t;4-/m.0/s1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1COC[C@H]1N
• WGK Alemania: 3
• Peso molecular: 259.32
• Reaxy-Rn: 14473675
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14473675&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Sulfonyls Oxolanes Organosulfonic acids Oxacyclic compounds Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - Oxolane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Primary amine - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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

• Sensibilidad: Heat & Light & Moisture sensitive
• Rotación específica [α]: [α]22/D −4.5°, c = 0.5 in methanol
• Punto de fusión (°C): 133-138 °C
• Peso molecular: 259.320 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.088 Da
• Monoisotopic Mass: 259.088 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• 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: 2

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