(±)-3-Benzyloxy-1,2-propanediol - ≥97%(HPLC) , CAS No.4799-67-1

CAS: 4799-67-1 Cat. No.: x170522 Peso molecular: 182.22 Número EC: 225-358-7 PubChem CID: 98072

GRADE & PURITY ≥97%(HPLC)

Synonyms

3-Benzyloxy-1,2-propanediol | Glycerol, 1-benzyl- | 1-O-Benzyl-rac-glycerol | AI3-62166 | (4-Methylamino-cyclohexyl)-carbamic acid tert-butyl ester | DL-alpha-O-Benzylglycerol, >=98% | Fmoc-(R)-3-Amino-3-(2,3-dichloro-phenyl)-propionicacid | Glycerol, alp

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

(±)-3-Benzyloxy-1,2-propanediol undergoes enantioseparation by ligand exchange micellar electrokinetic chromatography using borate anion as a central ion

Specifications

Sinónimos

3-Benzyloxy-1, 2-propanediol | Glycerol, 1-benzyl- | 1-O-Benzyl-rac-glycerol | AI3-62166 | (4-Methylamino-cyclohexyl)-carbamic acid tert-butyl ester | DL-alpha-O-Benzylglycerol, >=98% | Fmoc-(R)-3-Amino-3-(2, 3-dichloro-phenyl)-propionicacid | Glycerol, alp

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)COCC(CO)O
• IUPAC Name: 3-phenylmethoxypropane-1,2-diol
• InChIKey: LWCIBYRXSHRIAP-UHFFFAOYSA-N
• INCHI: 1S/C10H14O3/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
• Isómeros SMILES: C1=CC=C(C=C1)COCC(CO)O
• WGK Alemania: 3
• PubChem CID: 98072
• Peso molecular: 182.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Glycerol ethers Secondary alcohols 1,2-diols Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Glycerolipid - Glycerol ether - Secondary alcohol - 1,2-diol - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.533
• Peso molecular: 182.220 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094 Da
• Monoisotopic Mass: 182.094 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Ya-Nan Gong, Qi-Yu Ma, Ying Wang, Jun-Hui Zhang, You-Ping Zhang, Rui-Xue Liang, Bang-Jin Wang, Sheng-Ming Xie, Li-Ming Yuan.  (2023)  Preparation of Chiral Porous Organic Cage Clicked Chiral Stationary Phase for HPLC Enantioseparation.  MOLECULES,  28  (7): (3235).  [PMID:37049997] [10.3390/molecules28073235]