Description

[12As,(+)]-1,2,3,12Aβ-Tetrahydro-1-Methyl-8,9-Dimethoxy-12H-[1]Benzoxepino[2,3,4-Ij]Isoquinoline-6-Ol CAS NO 112547-16-7 is a complex, chiral isoquinoline alkaloid derivative with a unique benzoxepino-fused ring structure. This compound serves as a high-value intermediate or reference standard in advanced organic synthesis and pharmaceutical research. It is primarily required by pharmaceutical R&D laboratories and fine chemical manufacturers engaged in developing novel therapeutics or studying structure-activity relationships.

Application

• Pharmaceutical Intermediate: Key chiral building block for the synthesis of potential drug candidates targeting neurological or cardiovascular systems.
• Biochemical Research: Reference standard and tool compound for studying enzyme inhibition, receptor binding, and other pharmacological mechanisms.
• Asymmetric Synthesis: Valuable precursor in catalytic asymmetric reactions due to its defined stereochemistry at the 12As position.
• Natural Product Analog Development: Used to create synthetic analogs of complex natural alkaloids for medicinal chemistry programs.
• Analytical Standard: High-purity material for method development and calibration in chromatographic analysis (HPLC, LC-MS).

Basic Information

Product Name	[12As,(+)]-1,2,3,12Aβ-Tetrahydro-1-Methyl-8,9-Dimethoxy-12H-[1]Benzoxepino[2,3,4-Ij]Isoquinoline-6-Ol
CAS No.	112547-16-7
Molecular Formula	C₂₁H₂₃NO₄
Molecular Weight	353.41 g/mol
Synonyms	(+)-1,2,3,12a-Tetrahydro-1-methyl-8,9-dimethoxy-12H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol; (12aS)-1,2,3,12a-Tetrahydro-1-methyl-8,9-dimethoxy-12H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol; (12aS)-6-Hydroxy-1-methyl-8,9-dimethoxy-1,2,3,12a-tetrahydro-12H-benzoxepino[2,3,4-ij]isoquinoline; NSC 339579; L-Tetrahydropalmatine derivative; Benzoxepinoisoquinoline alkaloid
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality protocols to ensure batch-to-batch consistency and high chemical purity. All materials are characterized by modern analytical techniques including HPLC, NMR, and MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, chiral purity, and impurity profile is provided with each shipment to support your critical R&D and cGMP-aligned processes.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, cool, and well-ventilated area. The compound may be light-sensitive and should be handled under an inert atmosphere for long-term stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.