3-Methoxyphenethylamine - ≥98%(GC) , CAS No.2039-67-0

CAS: 2039-67-0 Cat. No.: M123416 Peso molecular: 151.21 Beilstein Registry Number: 775202 Número EC: 218-017-9

GRADE & PURITY ≥98%(GC)

Synonyms

3-methoxy phenethylamine | NSC124706 | NSC-124706 | 1-Chloro-2,4-diaminobenzene | AM20030302 | 3-Methoxyphenethyl ae | F2190-0494 | X769MZ3BBT | beta-(3-methoxyphenyl)-ethylamine | SB35192 | 3-methoxy phenylethylamine | NSC 124706 | AE-562/40171055 | L-2-

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

The spectral binding affinity for 3-methoxyphenethylamine was studied to examine the determinants of P450 2D6 catalysis.
Activated phenethylamine used in the perfluorooctanesulfonic acid catalyzed Pictet-Spengler reaction.Also used in a synthesis of 1,3-oxazepines via palladium-catalyzed intramolecular coupling.

Specifications

Sinónimos

3-methoxy phenethylamine | NSC124706 | NSC-124706 | 1-Chloro-2, 4-diaminobenzene | AM20030302 | 3-Methoxyphenethyl ae | F2190-0494 | X769MZ3BBT | beta-(3-methoxyphenyl)-ethylamine | SB35192 | 3-methoxy phenylethylamine | NSC 124706 | AE-562/40171055 | L-2-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754877
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754877
• Sonrisas canónicas: COC1=CC=CC(=C1)CCN
• IUPAC Name: 2-(3-methoxyphenyl)ethanamine
• InChIKey: WJBMRZAHTUFBGE-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5-6,10H2,1H3
• Isómeros SMILES: COC1=CC=CC(=C1)CCN
• WGK Alemania: 3
• RTECS: SH7835000
• Peso molecular: 151.21
• Beilstein: 775202
• Reaxy-Rn: 775202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775202&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - Phenoxy compound - Anisole - 2-arylethylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

Objetivos asociados (no humanos)

Taar1 Trace amine-associated receptor 1 (899 Activities)

Discover Target: Taar1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.5370 - 1.5410
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 119°C/6mmHg
• Peso molecular: 151.210 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 151.1 Da
• Monoisotopic Mass: 151.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• 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

Referencias

1. Xiaoshuai Zhang, Teng Li, Cong Yu, Weiqiang Miao, Hui Wang, Yiwei Fu, Bojun Zhou, Dan Liu, Wei Li, Tao Wang.  (2023)  Polymer-doped perovskite nanocrystals for efficient single active layer white light-emitting diodes through energy transfer.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.125805]

2. Jinyi Liu, Haojie Yu, Li Wang, Sergey Z. Vatsadze, Zhikun Huang, Xuefei Li, Lei Ding.  (2022)  Preparation of ferrocene-based Schiff base derivatives for the thermal decomposition of ammonium perchlorate.  ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE,  649  (2): (e202200169).  [PMID:] [10.1002/zaac.202200169]

3. Lei Ge, Yang Wang, Xiang Gao, Min Li, Runqi Zhang, Siyu Liu, Yihang Yu, Mingguang Li, Ligang Xu, Ye Tao, Runfeng Chen, Wenzhen Lv.  (2022)  Stimulating Efficient and Stable Ultralong Phosphorescence of 2D Perovskites by Dual-Mode Triplet Exciton Stabilization.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c01501]

4. Jinyi Liu, Haojie Yu, Li Wang, Sergey Z. Vatsadze, Zhikun Huang, Bilal Ul Amin.  (2021)  Preparation of ferrocene-based phenylethylamino compounds and their properties as burning rate catalysts.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2021.132066]

5. Kong Lingmei, Sun Yuqi, Zhao Bin, Ji Kangyu, Feng Jie, Dong Jianchao, Wang Yuanzhi, Liu Zirui, Maqbool Shabnum, Li Yunguo, Yang Yingguo, Dai Linjie, Lee Wanhee, Cho Changsoon, Stranks Samuel D., Friend Richard H., Wang Ning, Greenham Neil C., Yang Xuyong.  (2024)  Fabrication of red-emitting perovskite LEDs by stabilizing their octahedral structure.  NATURE,  631  (8019): (73-79).  [PMID:38867044] [10.1038/s41586-024-07531-9]

6. Wenzhen Lv, Yebo Cai, Yang Wang, Chengxi Sun, Xiangyu Chen, Siyu Liu, Chaofei Han, Ying Tang, Ligang Xu, Dongqing Lin, Runfeng Chen.  (2024)  Organic Room-Temperature Phosphorescence of Layered Organic Ammonium Chloride via Layer-By-Layer Assembly.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.4c01352]