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

CAS: 117049-14-6 Cat. No.: B109345 Formula: C₁₀H₁₉NO₃ Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504764560

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764560

Sorrisi canonici

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

Isomeri SMILES

CC(C)(C)OC(=O)N[C@H](CO)C1=CC=CC=C1

WGK Germania

3

Peso molecolare

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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Sensibilità: air sensitive
• Rotazione specifica [α]: +32.0 to +39.0 deg(C=1, CHCl3)
• Punto di fusione (°C): 136-139°C
• Peso molecolare: 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