Di-tert-butyl dicarbonate - ≥96% , CAS No.24424-99-5

CAS: 24424-99-5 Cat. No.: D106160 Molecular Weight: 218.25 Beilstein Registry Number: 1911173 EC Number: 246-240-1

GRADE & PURITY ≥96%

Synonyms

di-t-butyldicarbonate | di-t-butyl-dicarbonate | Di-tert-butyl dicarbonate 2.0M in THF | (di-tert-butyl)dicarbonate | Di tert-butyl dicarbonate | di-t-butylpyrocarbonate | di-tert-butyl dicabonate | tBoc2O | t-Boc2O | Di-tert-butyl dicarbonate 2.0M in Dic

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Aminomethyl allene was prepared by reaction of Boc propargyl amine with formaldehyde, diisopropylamine and copper bromide as part of a series of Bovine Plasma Amine Oxidase inactivators Protection of alcohols as Boc derivatives via Lewis acid catalysis. Reagent for the introduction of the Boc protecting group. Reagent for the preparation of Boc protected amines. Tris-Boc protected hydrazine allows preparation of Fmoc ester in a chromophoric reagent to monitor solid-phase aldehydes.

Specifications

Synonyms

di-t-butyldicarbonate | di-t-butyl-dicarbonate | Di-tert-butyl dicarbonate 2.0M in THF | (di-tert-butyl)dicarbonate | Di tert-butyl dicarbonate | di-t-butylpyrocarbonate | di-tert-butyl dicabonate | tBoc2O | t-Boc2O | Di-tert-butyl dicarbonate 2.0M in Dic

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
• InChIKey: DYHSDKLCOJIUFX-UHFFFAOYSA-N
• INCHI: 1S/C10H18O5/c1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h1-6H3
• Isomeric SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C
• WGK Germany: 3
• RTECS: HT0230000
• UN Number: 2929
• Packing Group: II
• Molecular Weight: 218.25
• Beilstein: 1911173
• Reaxy-Rn: 1911173
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911173&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: Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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: acyclic carboxylic anhydride

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

• Solubility: Solubility in water: Practically insoluble; Very soluble in Toluene,Acetone
• Sensitivity: Hygroscopic
• Refractive Index: 1.409
• Flash Point(°F): 98.6 °F
• Flash Point(°C): 37℃
• Boil Point(°C): 56-57 °C/0.5 mmHg
• Melt Point(°C): 23°C
• Molecular Weight: 218.250 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 218.115 Da
• Monoisotopic Mass: 218.115 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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

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