1-Bencilpiperazina - ≥98%(GC) , CAS No.841-77-0

CAS: 841-77-0 Cat. No.: B134038 Peso molecular: 252.36 Beilstein Registry Number: 222773 Número EC: 212-667-7

GRADE & PURITY ≥98%(GC)

Synonyms

CINNARIZINE IMPURITY A | 1-Benzhydryl piperazine | 1-diphenylmethylpiperazine | AC-15867 | Benzhydrylpiperazine; 1-Benzhydrylpiperazine; 1-(Diphenylmethyl)piperazine; 4-(Diphenylmethyl)piperazine; 4-Benzhydrylpiperazine; N-(Diphenylmethyl)piperazine | 4-(

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

la 1-(difenilmetil)piperazina es un intermediario durante la síntesis de fármacos. Se ha descrito su formación durante el metabolismo oxidativo de la cinarizina (CZ) [1-(difenilmetil)-4-(3-fenil-2-propenil)-piperazina] en microsomas de hígado de rata[1]. Reacciona con quinona en acetonitrilo, seguido de oxidación con ferricianuro potásico alcalino, para producir 4-amino-3,6-di(terc-butil)-o-benzoquinonas.

Aplicación

la 1-(difenilmetil)piperazina [N-(difenilmetil)piperazina] puede utilizarse para la síntesis de 2- nitro-3,4,4-tricloro-1-(propiltio)-1-[4-(difenilmetil)piperazin-1-il]-13-butadieno y 2-nitro-3,4,4-tricloro-1-(octadeciltio)-1-[4-(difenilmetil)piperazin-1-il]-1,3-butadieno.

Specifications

Sinónimos

CINNARIZINE IMPURITY A | 1-Benzhydryl piperazine | 1-diphenylmethylpiperazine | AC-15867 | Benzhydrylpiperazine; 1-Benzhydrylpiperazine; 1-(Diphenylmethyl)piperazine; 4-(Diphenylmethyl)piperazine; 4-Benzhydrylpiperazine; N-(Diphenylmethyl)piperazine | 4-(

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754480
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754480
• Sonrisas canónicas: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
• IUPAC Name: 1-benzhydrylpiperazine
• InChIKey: NWVNXDKZIQLBNM-UHFFFAOYSA-N
• INCHI: 1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
• Isómeros SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=CC=C3
• WGK Alemania: 3
• RTECS: TL6465000
• Peso molecular: 252.36
• Beilstein: 222773
• Reaxy-Rn: 222773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=222773&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: N-alkylpiperazines Aralkylamines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - N-alkylpiperazine - Aralkylamine - Piperazine - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HepG2 (196354 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Objetivos asociados (no humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Saccharomyces cerevisiae (19171 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Sensibilidad: air sensitive
• Punto de inflamación (°F): 239 °F
• Punto de inflamación (°C): 115 °C
• Punto de ebullición (°C): 185 °C/2 mmHg
• Punto de fusión (°C): 93 °C
• Peso molecular: 252.350 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 252.163 Da
• Monoisotopic Mass: 252.163 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 230.000
• 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. Bin Wang, Lingfeng Gao, Hua Yang, Gengxiu Zheng.  (2021)  Regio- and Stereoselective Syn-Boronation of Terminal Alkynes Catalyzed by Copper Nanospheres on Graphene Nanosheets.  ACS Applied Materials & Interfaces,      [PMID:34585911] [10.1021/acsami.1c11892]