N,O-Bis(tert-butoxycarbonyl)hydroxylamine - ≥98% , CAS No.85006-25-3

CAS: 85006-25-3 Cat. No.: N159505 Molecular Weight: 233.26 Beilstein Registry Number: 1794020 EC Number: 285-055-0

GRADE & PURITY ≥98%

Synonyms

tert-butyl BOC-oxycarbamate | UNII-HX6G035C2M | AGOSGCWATIJZHQ-UHFFFAOYSA-N | J-524378 | CARBONIC ACID, (((1,1-DIMETHYLETHOXY)CARBONYL)AZANYL) 1,1-DIMETHYLETHYL ESTER | HX6G035C2M | tert-Butyl tert-Butoxycarbonyloxycarbamate | N,O-Bis-tert-butoxycarbonylh

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

tert-butyl BOC-oxycarbamate | UNII-HX6G035C2M | AGOSGCWATIJZHQ-UHFFFAOYSA-N | J-524378 | CARBONIC ACID, (((1, 1-DIMETHYLETHOXY)CARBONYL)AZANYL) 1, 1-DIMETHYLETHYL ESTER | HX6G035C2M | tert-Butyl tert-Butoxycarbonyloxycarbamate | N, O-Bis-tert-butoxycarbonylh

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760953
• Canonical Smiles: CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl [(2-methylpropan-2-yl)oxycarbonylamino] carbonate
• InChIKey: AGOSGCWATIJZHQ-UHFFFAOYSA-N
• INCHI: 1S/C10H19NO5/c1-9(2,3)14-7(12)11-16-8(13)15-10(4,5)6/h1-6H3,(H,11,12)
• Isomeric SMILES: CC(C)(C)OC(=O)NOC(=O)OC(C)(C)C
• WGK Germany: 3
• Molecular Weight: 233.26
• Beilstein: 1794020
• Reaxy-Rn: 1794022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1794022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids and derivatives
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids and derivatives. These are compounds comprising the organic carbonic acid or a derivative thereof.
• 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
• Melt Point(°C): 69 °C
• Molecular Weight: 233.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 233.126 Da
• Monoisotopic Mass: 233.126 Da
• Topological Polar Surface Area: 73.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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. Wenqing Zhang, Hao Zhu, Wenjie Xie, Chuanyuan Du, Xiuqiang Fang, Ruiming Zhang, Xiaosong Hu, Yawei Lin.  (2024)  Highly sensitive analysis of fatty aldehydes in vegetable oils using a novel coumarin-based fluorescent probe by HPLC for quality control.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111180]