2,4-Dimethoxybenzylamine - ≥98% , CAS No.20781-20-8

CAS: 20781-20-8 Cat. No.: D123129 Peso molecular: 167.21 Número EC: 672-586-1

GRADE & PURITY ≥98%

Synonyms

BB 0217924 | SCHEMBL153750 | 4,5-DIMETHOXY-2-FLUOROBENZYLCHLORIDE | 2,4-dimethoxybenzyl amine | (2,4-Dimethoxyphenyl)methanamine # | DB02249 | 2,4-Dimethoxy benzylamine | STK500978 | Hexane, spectrophotometric grade, >=95% | 2,4-Dimethyloxybenzylamine | D

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

2,4-Dimethoxybenzylamine can be preprepared by reduction (NaBH4 , BF3.OEt2, THF) of 2,4-dimethoxybenzonitrile

2,4-Dimethoxybenzylamine is an amine nucleophile used to investigate the 1,4- reactivity of 5-bromo-2-indene-1-one.It may be used in the following studies:

· As an ammonia equivalent in the concise synthesis of a series of 2,4,5-trisubstituted oxazoles, via a tandem Ugi/Robinson-Gabriel reaction sequence.

· Total synthesis of (-)-muraymycin (MRY) D2 and its epimer, the antibacterial nucleoside natural product.

· Two-step synthesis of amide derivatives of uracil polyoxin C (UPOC) methyl ester using the Ugi reaction.

· Synthesis of N-hydroxythiourea.

· Synthesis of anti-HIV-1 agents

Specifications

Sinónimos

BB 0217924 | SCHEMBL153750 | 4, 5-DIMETHOXY-2-FLUOROBENZYLCHLORIDE | 2, 4-dimethoxybenzyl amine | (2, 4-Dimethoxyphenyl)methanamine # | DB02249 | 2, 4-Dimethoxy benzylamine | STK500978 | Hexane, spectrophotometric grade, >=95% | 2, 4-Dimethyloxybenzylamine | D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)CN)OC
• IUPAC Name: (2,4-dimethoxyphenyl)methanamine
• InChIKey: QOWBXWFYRXSBAS-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3
• Isómeros SMILES: COC1=CC(=C(C=C1)CN)OC
• WGK Alemania: 3
• Peso molecular: 167.21
• Reaxy-Rn: 2091647
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091647&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Sensibilidad: Air Sensitive；Light sensitive
• Índice de refracción: 1.549
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >110°C
• Punto de ebullición (°C): 143°C/15mmHg
• Peso molecular: 167.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• 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