3-(tert-Butoxycarbonylamino)propyl Bromide - ≥96% , CAS No.83948-53-2

CAS: 83948-53-2 Cat. No.: I136740 Molecular Weight: 238.13 Beilstein Registry Number: 4176340 EC Number: 629-016-1

GRADE & PURITY ≥96%

Synonyms

3-Bromopropylcarbamic acid tert-butyl ester | 3-(tert-Butoxycarbonylamino)propyl Bromide | 1,1-dimethylethyl (3-bromopropyl)carbamate | 1,1-Dimethylethyl (3-bromopropyl)-carbamate | 3(BOC-amino) propylbromide | AKOS015836810 | tert-butyl (3 bromopropyl)ca

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

3-(Boc-amino)propyl bromide is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds. It has been shown to be utilized in the synthesis of an active anti-HIV ethidium-arginine conjugate targeted against the viral TAR RNA sequence.
A versatile building block.

Specifications

Synonyms

3-Bromopropylcarbamic acid tert-butyl ester | 3-(tert-Butoxycarbonylamino)propyl Bromide | 1, 1-dimethylethyl (3-bromopropyl)carbamate | 1, 1-Dimethylethyl (3-bromopropyl)-carbamate | 3(BOC-amino) propylbromide | AKOS015836810 | tert-butyl (3 bromopropyl)ca

Specifications & Purity

≥96%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488194882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194882
• Canonical Smiles: CC(C)(C)OC(=O)NCCCBr
• IUPAC Name: tert-butyl N-(3-bromopropyl)carbamate
• InChIKey: IOKGWQZQCNXXLD-UHFFFAOYSA-N
• INCHI: 1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
• Isomeric SMILES: CC(C)(C)OC(=O)NCCCBr
• WGK Germany: 3
• Molecular Weight: 238.13
• Beilstein: 4176340
• Reaxy-Rn: 4176344
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4176344&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive；Heat Sensitive；Light sensitive
• Melt Point(°C): 41 °C
• Molecular Weight: 238.120 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 237.036 Da
• Monoisotopic Mass: 237.036 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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

References

1. Yuan Liu, Binghui Xue, Jiadong Chen, Yuyan Lai, Panchao Yin.  (2023)  The Coordination Nanocages-Integrated Polymer Brush Networks for Flexible Microporous Membranes with Exceptional H2/CO2 Separation Performance.  MACROMOLECULAR RAPID COMMUNICATIONS,  44  (24): (2300477).  [PMID:37814593] [10.1002/marc.202300477]

2. Long Huang, Mingzhen Cai, Qianqian Qiao, Taotao Li, Junyu Chen, Xulin Jiang.  (2023)  Water soluble AIEgen-based thermosensitive and antibacterial hydroxypropyl chitin hydrogels for non-invasive visualization and wound healing.  CARBOHYDRATE POLYMERS,      [PMID:37567696] [10.1016/j.carbpol.2023.121186]

3. Ziying Zhang, Weishen Zeng, Ning Guo, Mengnan Ran, Huixuan Gan, Quanxin Wu, Jiehua Xu, Hao Wang, Shisong Han, Yun Liu.  (2024)  A nanodrug loading indocyanine green and metformin dually alleviating tumor hypoxia for enhanced chemodynamic/sonodynamic therapy.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39571354] [10.1016/j.jcis.2024.11.133]

4. Zejian He, Jun Wu, Zhen He, Jia Chen, Weipin Fang, Yifan Zhang, Xinyi Shen, Yangjing Ren, Yulong Chen, Jianguo He, Donghai Yan, Pin Chen, Mi Zhou.  (2025)  A Paper-Based Sensor for the Detection of Gastroesophageal Reflux Disease Utilizing a Cleavable Fluorescent Polymer.  Advanced Healthcare Materials,      [PMID:39823160] [10.1002/adhm.202402919]

5. Yun Liu, Ziying Zhang, Yu Xia, Mengnan Ran, Qing Wang, Quanxin Wu, Wenhua Yu, Cao Li, Shiying Li, Ning Guo.  (2024)  Dual-targeting of tumor cells and tumor-associated macrophages by hyaluronic acid-modified MnO2 for enhanced sonodynamic therapy.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39542302] [10.1016/j.ijbiomac.2024.137543]