N-Boc-4-hydroxyaniline - ≥97% , CAS No.54840-15-2

CAS: 54840-15-2 Cat. No.: I170931 分子式: C₁₁H₁₅NO₃ 分子量: 209.24 EC番号: 628-641-7

GRADE & PURITY ≥97%

Synonyms

4-(1,1-dimethylethoxycarbonylamino)phenol | AC-6436 | N-Boc-4-hydroxyaniline | N-Boc-4-hydroxy-aniline | 4-Butyldicyclohexylanone | t-butyl (4-hydroxyphenyl)carbamate | t-butyl (4-hydroxyphenyl)-carbamate | FT-0640274 | YRQMBQUMJFVZLF-UHFFFAOYSA-N | AKOS0

Storage

Room temperature

Shipped In

Normal

概要

Application

4-(Boc-amino)phenol, is used to protect amine in the solid phase synthesis of peptides, used to produce [4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-carbamic acid tert-butyl ester at ambient temperature. This reaction will need reagent imidazole and solvent dimethylformamide, CH2Cl2.

Specifications

同義語

4-(1,1-dimethylethoxycarbonylamino)phenol | AC-6436 | N-Boc-4-hydroxyaniline | N-Boc-4-hydroxy-aniline | 4-Butyldicyclohexylanone | t-butyl (4-hydroxyphenyl)carbamate | t-butyl (4-hydroxyphenyl)-carbamate | FT-0640274 | YRQMBQUMJFVZLF-UHFFFAOYSA-N | AKOS0

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488193026
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488193026
• カノニカル・スマイル: CC(C)(C)OC(=O)NC1=CC=C(C=C1)O
• IUPAC Name: tert-butyl N-(4-hydroxyphenyl)carbamate
• InChIKey: YRQMBQUMJFVZLF-UHFFFAOYSA-N
• INCHI: 1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
• 異性体SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)O
• WGKドイツ: 3
• 分子量: 209.24
• Reaxy-Rn: 2101881
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2101881&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylcarbamic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylcarbamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylcarbamic acid esters
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water.
• 融点（°C）: 143-147 °C
• 分子量: 209.240 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 209.105 Da
• Monoisotopic Mass: 209.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% 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 54840-15-2, the molecular formula is C11H15NO3, and the molecular weight is 209.24 g/mol. InChIKey YRQMBQUMJFVZLF-UHFFFAOYSA-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.