2-(Boc-amino)ethyl bromide - ≥97%(GC) , CAS No.39684-80-5

CAS: 39684-80-5 Cat. No.: I136596 Peso molecular: 224.10 Beilstein Registry Number: 2325120 Número EC: 674-928-5

GRADE & PURITY ≥97%(GC)

Synonyms

tert-butyl 2-bromoethylcarbamate | 2-(Boc-amino)ethyl bromide | tert-Butyl (2-bromoethyl)carbamate | n-boc-bromoethylamine | tert-Butyl N-(2-bromoethyl)carbamate | N-(2-Bromoethyl)carbamic Acid tert-Butyl Ester

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Building block for preparing fluorinated spacers having nucleophilic and electrophilic termini; preparation of a biphenyl linker

2-(Boc-amino)ethyl bromide is used in organic synthesis to introduce Boc-protective group and enable the synthesis of various compounds like peptides.

Specifications

Sinónimos

tert-butyl 2-bromoethylcarbamate | 2-(Boc-amino)ethyl bromide | tert-Butyl (2-bromoethyl)carbamate | n-boc-bromoethylamine | tert-Butyl N-(2-bromoethyl)carbamate | N-(2-Bromoethyl)carbamic Acid tert-Butyl Ester

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NCCBr
• IUPAC Name: tert-butyl N-(2-bromoethyl)carbamate
• InChIKey: TZRQZPMQUXEZMC-UHFFFAOYSA-N
• INCHI: 1S/C7H14BrNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)
• Isómeros SMILES: CC(C)(C)OC(=O)NCCBr
• WGK Alemania: 3
• Peso molecular: 224.10
• Beilstein: 2325120
• Reaxy-Rn: 2325117
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2325117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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 Chloroform, Dichloromethane and Ethyl Acetate, Soluble in Chloroform, Dichloromethane and Ethyl Acetate
• Sensibilidad: Moisture & Heat sensitive
• Punto de inflamación (°C): 112 °C
• Punto de fusión (°C): 30-32 °C
• Peso molecular: 224.100 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 223.021 Da
• Monoisotopic Mass: 223.021 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• 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

Referencias

1. Ranran Gao, Qu Wang, Qian Li, Chenchi Hua, Xiaoning Guo, Li Wang, Wantai Yang.  (2025)  Tetraphenylethylene-appended poly(ethylene-alt-maleic anhydride) derivatives: functional group-dependent stimuli-responsive fluorescence.  Polymer Chemistry,  16  (42): (4686-4695).  [PMID:] [10.1039/D5PY00657K]