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

CAS: 158932-00-4 Cat. No.: B118744 Formula: C₁₆H₂₂N₂O₃ Peso molecolare: 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

Sinonimi

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-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504768938

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Rotazione specifica [α]: +53° (c=2 in acetic acid)
• Punto di fusione (°C): 119-121°C
• Peso molecolare: 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

Domande frequenti

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.