Pinacol - ≥99% , CAS No.76-09-5

CAS: 76-09-5 Cat. No.: P104536 Formule: C₆H₁₄O₂ Poids moléculaire: 118.17 Beilstein Registry Number: 1340501 Numéro CE: 200-933-5

GRADE & PURITY ≥99%

Synonyms

2,3-Dihydroxy-2,3-dimethylbutane | DTXSID3058793 | STL256832 | WLN: QX1&1&XQ1&1 | BP-21164 | Pinacol, 98% | EINECS 200-933-5 | W-104376 | Z382716052 | 4-01-00-02575 (Beilstein Handbook Reference) | meso-2,3-Dimethyl-2,3-butanediol | 2,3-Dimethyl-2,3-butan

Storage

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

The pinacol coupling reaction with the inorganic electride [Ca2N](+)·e(−) as an electron donor in organic solvents was studied.

application：

Pinacol is a 1,2-diol that can be used:

As a ligand to prepare uranyl complexes by reacting with uranyl nitrate and acetate hydrates.

To prepare pinacolone and 2,3-dimethyl-1,3-butadiene by typical pinacol rearrangement reaction.

As a reactant to synthesize 4-(4,4,5,5-tetramethyl-1,3,2-bioxaborolan-2-yl)benzoic acid, which is used to prepare derivatives of 4-acetoxy-3-phenylbenzaldehyde.

Specifications

Synonymes

2,3-Dihydroxy-2,3-dimethylbutane | DTXSID3058793 | STL256832 | WLN: QX1&1&XQ1&1 | BP-21164 | Pinacol, 98% | EINECS 200-933-5 | W-104376 | Z382716052 | 4-01-00-02575 (Beilstein Handbook Reference) | meso-2,3-Dimethyl-2,3-butanediol | 2,3-Dimethyl-2,3-butan

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504751093

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751093

Sourires canoniques

CC(C)(C(C)(C)O)O

IUPAC Name

2,3-dimethylbutane-2,3-diol

InChIKey

IVDFJHOHABJVEH-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3

Isomères SMILES

CC(C)(C(C)(C)O)O

WGK Allemagne

2

RTECS

EK1720000

Poids moléculaire

118.17

Beilstein

1340501

Reaxy-Rn

1340501

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1340501&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: 1,2-diols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - 1,2-diol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in hot water, alcohol, and diethyl ether.
• Sensibilité: Hygroscopic
• Point d'éclair (°F): 170.6 °F
• Point d'éclair (°C): 77 °C
• Point d'ébullition (°C): 171-172 °C/739 mmHg
• Point de fusion (°C): 40-43℃
• Poids moléculaire: 118.170 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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