Boc-3-amino-4-methoxybenzoic acid - ≥97% , CAS No.306937-12-2

CAS: 306937-12-2 Cat. No.: B355864 Peso molecular: 267.28 Número EC: 960-780-1

GRADE & PURITY ≥97%

Synonyms

SCHEMBL3982009 | 3-((tert-Butoxycarbonyl)amino)-4-methoxybenzoicacid | [3-(tert-Butoxycarbonyl)amino-4-methoxy]benzoic acid | AKOS009159316 | C74578 | EN300-1228760 | 3-Amino-4-methoxybenzoic acid,N-BOC protected | Boc-3-amino-4-methoxybenzoic acid | TS-0

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL3982009 | 3-((tert-Butoxycarbonyl)amino)-4-methoxybenzoicacid | [3-(tert-Butoxycarbonyl)amino-4-methoxy]benzoic acid | AKOS009159316 | C74578 | EN300-1228760 | 3-Amino-4-methoxybenzoic acid, N-BOC protected | Boc-3-amino-4-methoxybenzoic acid | TS-0

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504761268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761268
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC
• IUPAC Name: 4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
• InChIKey: HJRQIHYNWZEWHF-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO5/c1-13(2,3)19-12(17)14-9-7-8(11(15)16)5-6-10(9)18-4/h5-7H,1-4H3,(H,14,17)(H,15,16)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(=O)O)OC
• Peso molecular: 267.28
• Reaxy-Rn: 8772024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8772024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: Phenylcarbamic acid esters Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Carbamate esters Organic carbonic acids and derivatives Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylcarbamic acid ester - P-methoxybenzoic acid or derivatives - Benzoic acid - Methoxyaniline - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• 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

Propiedades químicas y físicas

• Peso molecular: 267.280 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 267.111 Da
• Monoisotopic Mass: 267.111 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 336.000
• 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