BOC-D-Phenylglycinol - ≥98% , CAS No.102089-74-7

CAS: 102089-74-7 Cat. No.: B102882 Summenformel: C₁₃H₁₉NO₃ Molekulargewicht: 237.29 Beilstein Registry Number: 4688248 EG-Nummer: 600-273-1

GRADE & PURITY ≥98%

Synonyms

(-)-N-Boc-D-alpha-phenylglycinol | (R)-tert-butyl 2-hydroxy-1-phenylethylcarbamate | tert-butyl [(1R)-2-hydroxy-1-phenylethyl]carbamate | AI3-25443 | B3270 | MFCD00274205 | N-Boc-alpha-D-phenylglycinol | (R)-2-(Boc-amino)-2-phenylethanol | n-boc-d-phenylg

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

(-)-N-Boc-D-alpha-phenylglycinol | (R)-tert-butyl 2-hydroxy-1-phenylethylcarbamate | tert-butyl [(1R)-2-hydroxy-1-phenylethyl]carbamate | AI3-25443 | B3270 | MFCD00274205 | N-Boc-alpha-D-phenylglycinol | (R)-2-(Boc-amino)-2-phenylethanol | n-boc-d-phenylg

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488196062
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196062
• Kanonisches Lächeln: CC(C)(C)OC(=O)NC(CO)C1=CC=CC=C1
• IUPAC Name: tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
• InChIKey: IBDIOGYTZBKRGI-NSHDSACASA-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-/m0/s1
• Isomere SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C1=CC=CC=C1
• WGK Deutschland: 3
• Molekulargewicht: 237.29
• Beilstein: 4688248
• 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
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Chloroform
• Spezifische Drehung [α]: -38 ° (C=1, CHCl3)
• Schmelzpunkt (°C): 137-139°C
• Molekulargewicht: 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