TOBA HCl

CAS Number: 262862-66-8

Molecular Formula: C14H16ClNO

Purity: ≥ 99.0% (Validated by HPLC)

Specialty & Advanced IntermediatesGeneral Functional ReagentsVortioxetine starting materialPhenoxybenzylamine derivatives synthesisN-arylation precursorsNovel fungicides privileged scaffoldMETI acaricide/insecticide Tolfenpyrad synthesis

About TOBA HCl

4-(4-Methylphenoxy)benzylamine hydrochloride (CAS 262862-66-8), commonly referred to as TOBA HCl, is a high-purity aromatic amine salt. In the elemental derivatives and pharmaceutical hierarchy, it serves as the indispensable structural building block for the synthesis of vortioxetine (an atypical antidepressant). TOBA...

Synonyms

C14H16ClNO
C14H15NO.HCl
CTK7E4899
4PBA-Q06-1
4-p-Tolyloxybenzylamine hydrochloride

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TOBA HCl Specifications

CAS Number

262862-66-8

Molecular Formula

C14H16ClNO

Molecular Weight

249.73 g/mol

IUPAC Name

[4-(4-methylphenoxy)phenyl]methanamine;hydrochloride

Canonical SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl

InChI Key

PYSIBOVVDDDETB-UHFFFAOYSA-N

InChI

1S/C14H15NO.ClH/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14;/h2-9H,10,15H2,1H3;1H

PubChem CID

17749862

MDL Number

MFCD02089411

HSN No

292229

CAS Number

262862-66-8

Molecular Formula

C14H16ClNO

Molecular Weight

249.73 g/mol

IUPAC Name

[4-(4-methylphenoxy)phenyl]methanamine;hydrochloride

Canonical SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)CN.Cl

InChI Key

PYSIBOVVDDDETB-UHFFFAOYSA-N

InChI

1S/C14H15NO.ClH/c1-11-2-6-13(7-3-11)16-14-8-4-12(10-15)5-9-14;/h2-9H,10,15H2,1H3;1H

PubChem CID

17749862

MDL Number

MFCD02089411

HSN No

292229

Molecular Weight

249.73 g/mol

Purity

≥ 99.0% (Validated by HPLC)

Agrochemical Research (Specialty Intermediates)

Phenoxyphenyl-methylamine scaffold - privileged structure in the development of novel Fungicides and Herbicides that target specific enzyme sites in plant pathogens, utilizing the ether-linked aromatic rings for optimized lipophilicity

Pharmaceuticals (API Precursor)

Significant in Synthesis of Vortioxetine Hydrobromide. TOBA HCl-coupled with 2-(2,4-dimethylphenylthio)benzene derivatives to form the core of the antidepressant molecule

Material Science (General Functional Reagents)

Functionalizing agent in the creation of specialized polymers and resins where an aromatic ether-linked amine moiety is required to enhance thermal or chemical resistance