Dibenzyl dicarbonate - ≥92% , CAS No.31139-36-3

CAS: 31139-36-3 Cat. No.: D466986 Molecular Weight: 286.28 Beilstein Registry Number: 4324800 EC Number: 629-545-8

GRADE & PURITY ≥92%

Synonyms

MFCD00043124 | Dibenzyl dicarbonate | FS-4658 | SCHEMBL48133 | FHRRJZZGSJXPRQ-UHFFFAOYSA-N | Benzyl Phenylmethoxycarbonyl Carbonate | Dibenzyl dicarbonate, 97% | Dicarbonic acid, bis(phenylmethyl) ester | P1281 | FT-0638952 | J-018255 | (PhCH2OCO)2O | cbz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Reagent for the introduction of the Z-protecting group in amino acids and other amines.

Specifications

Synonyms

MFCD00043124 | Dibenzyl dicarbonate | FS-4658 | SCHEMBL48133 | FHRRJZZGSJXPRQ-UHFFFAOYSA-N | Benzyl Phenylmethoxycarbonyl Carbonate | Dibenzyl dicarbonate, 97% | Dicarbonic acid, bis(phenylmethyl) ester | P1281 | FT-0638952 | J-018255 | (PhCH2OCO)2O | cbz

Specifications & Purity

≥92%

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

≥92%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl phenylmethoxycarbonyl carbonate
• InChIKey: FHRRJZZGSJXPRQ-UHFFFAOYSA-N
• INCHI: 1S/C16H14O5/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)20-12-14-9-5-2-6-10-14/h1-10H,11-12H2
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)OC(=O)OCC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 286.28
• Beilstein: 4324800
• Reaxy-Rn: 4324796
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4324796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Organic carbonic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

• Melt Point(°C): 23 °C
• Molecular Weight: 286.280 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 286.084 Da
• Monoisotopic Mass: 286.084 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 298.000
• 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