BOC-L-Phenylglycinol - ≥98% , CAS No.117049-14-6

CAS: 117049-14-6 Cat. No.: B109345 Peso molecular: 237.29 Beilstein Registry Number: 4316842

GRADE & PURITY ≥98%

Synonyms

DTXSID4064218 | N-Boc- L -2-phenylglycinol | (S)-tert-Butyl(2-hydroxy-1-phenylethyl)carbamate | NSC 44560 | Q-101620 | AC-5648 | DTXSID60426848 | 1-(4-Pyridinyl)acetone # | Carbamic acid, ((1S)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester | Carbamic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Application

N-Boc-L-alpha-phenylglycinol is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dye fields. Phenylglycinol-derived oxazolopiperidone lactams is used as starting materials for the enantioselective synthesis of piperidine-containing alkaloids.

Specifications

Sinónimos

DTXSID4064218 | N-Boc- L -2-phenylglycinol | (S)-tert-Butyl(2-hydroxy-1-phenylethyl)carbamate | NSC 44560 | Q-101620 | AC-5648 | DTXSID60426848 | 1-(4-Pyridinyl)acetone # | Carbamic acid, ((1S)-2-hydroxy-1-phenylethyl)-, 1, 1-dimethylethyl ester | Carbamic

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764560
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764560
• Sonrisas canónicas: CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1
• IUPAC Name: tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
• InChIKey: IBDIOGYTZBKRGI-LLVKDONJSA-N
• INCHI: 1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N[C@H](CO)C1=CC=CC=C1
• WGK Alemania: 3
• Peso molecular: 237.29
• Beilstein: 4316842
• Reaxy-Rn: 4688247
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4688247&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbamate esters Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Rotación específica [α]: +32.0 to +39.0 deg(C=1, CHCl3)
• Punto de fusión (°C): 136-139°C
• Peso molecular: 237.290 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 237.136 Da
• Monoisotopic Mass: 237.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 242.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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