N-Boc-D-tryptophanol - ≥98% , CAS No.158932-00-4

CAS: 158932-00-4 Cat. No.: B118744 Fórmula: C₁₆H₂₂N₂O₃ Peso molecular: 290.36

GRADE & PURITY ≥98%

Synonyms

N(alpha)-Boc-D-tryptophanol | AMY41624 | Carbamic acid, N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester | I10423 | N-alpha-t-Butyloxycarbonyl-D-tryptophanol | BOC-D-TRYPTOPHANOL | DTXSID60609578 | (R)-tert-Butyl (1-hydroxy-3-(1H-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N(alpha)-Boc-D-tryptophanol | AMY41624 | Carbamic acid, N-[(1R)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester | I10423 | N-alpha-t-Butyloxycarbonyl-D-tryptophanol | BOC-D-TRYPTOPHANOL | DTXSID60609578 | (R)-tert-Butyl (1-hydroxy-3-(1H-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504768938

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768938

Sorrisos canónicos

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)CO

IUPAC Name

tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate

InChIKey

JEFQUFUAEKORKL-GFCCVEGCSA-N

INCHI

1S/C16H22N2O3/c1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14/h4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20)/t12-/m1/s1

SMILES isoméricas

CC(C)(C)OC(=O)N[C@H](CC1=CNC2=CC=CC=C21)CO

Peso molecular

290.36

Reaxy-Rn

13864267

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13864267&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Propriedades químicas e físicas

• Rotação específica [α]: +53° (c=2 in acetic acid)
• Ponto de fusão (°C): 119-121°C
• Peso molecular: 290.360 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 290.163 Da
• Monoisotopic Mass: 290.163 Da
• Topological Polar Surface Area: 74.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 354.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 158932-00-4, the molecular formula is C16H22N2O3, and the molecular weight is 290.36 g/mol. InChIKey JEFQUFUAEKORKL-GFCCVEGCSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.