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

CAS: 20781-20-8 Cat. No.: D123129 Formule: C₉H₁₃NO₂ Poids moléculaire: 167.21 Numéro CE: 672-586-1

QUALITÉ & PURETÉ ≥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,Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755478

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755478

Sourires canoniques

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

Isomères SMILES

COC1=CC(=C(C=C1)CN)OC

WGK Allemagne

3

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive；Light sensitive
• Indice de réfraction: 1.549
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): >110°C
• Point d'ébullition (°C): 143°C/15mmHg
• Poids moléculaire: 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