HARMANE

Base Information

• Chemical Name: HARMANE
• CAS No.: 486-84-0
• Molecular Formula: C12H10 N2
• Molecular Weight: 182.225
• Hs Code.: 2933990090
• Mol file: 486-84-0.mol

Synonyms:2,9-Pyridindole,1-methyl- (3CI); 1-Methyl-9H-pyrido[3,4-b]indole; 1-Methyl-b-carboline; Aribin; Aribine;Harman; Harmane; Indoter; Locuturin; Locuturine; NSC 54439; Zygofabagine

Chemical Property of HARMANE

Chemical Property:

• Appearance/Colour: Off-White Solid
• Vapor Pressure: 7.61E-06mmHg at 25°C
• Melting Point: 235-238 °C(lit.)
• Refractive Index: 1.6266 (estimate)
• Boiling Point: 386.9°Cat760mmHg
• PKA: 7.37, 14.6(at 25℃)
• Flash Point: 176.2°C
• PSA: 28.68000
• Density: 1.252g/cm³
• LogP: 3.02450
• Storage Temp.: Store at RT
• Solubility.: methanol: soluble50mg/ml
• Water Solubility.: 1523g/L(20 oC)

Purity/Quality:

≥98% ^*data from raw suppliers

Harmane 98+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Harmane was used in trace level determination of harmane by planar chromatography coupled with (tandem) mass spectrometry. It was used to study interactions of norharman and harman with DNA.It may be used as matrix for analysis of cyclodextrins and for sulfated oligosaccharides in combination with DHB as co-matrix.

Technology Process of HARMANE

There total 101 articles about HARMANE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

eleagnine (2506-10-7) → harmane (486-84-0)

Guidance literature:

With C₂₁H₂₁ClIrNO₂; In tetrahydrofuran; 2,2,2-trifluoroethanol; for 20h; Inert atmosphere;

DOI:10.1002/anie.201300292

Reference yield: 93.0%

1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole trifluoroacetate → harmane (486-84-0)

Guidance literature:

With 2 mol-% Pd/C; lithium carbonate; In ethanol; at 150 ℃; for 0.166667h; Sealed tube; Microwave irradiation;

DOI:10.1002/ejoc.201301580

Reference yield: 92.0%

1-methyl-4,9-dihydro-3H-β-carboline (525-41-7) → harmane (486-84-0)

Guidance literature:

With potassium permanganate; In acetone; at 20 ℃;

DOI:10.3987/COM-05-10484

upstream raw materials:

eleagnine

1-methyl-6,7,8,9-tetrahydro-5H-pyrido[3,4-b]indole

harmol

Trp

Downstream raw materials:

1-methyl-2-(3-trimethylammonio-propyl)-9H-β-carbolinium; dibromide

1-methyl-2-(10-trimethylammonio-decyl)-9H-β-carbolinium; dibromide

(E)-1-(2-phenylvinyl)-9H-pyrido[3,4-b]indole

eleagnine

Refernces

Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids

10.1002/jhet.5570380512

The study focuses on the synthesis and isolation of bromo-β-carbolines, which are derivatives of β-carboline alkaloids. The researchers used N-bromosuccinimide (NBS) as the brominating agent to induce electrophilic aromatic substitution in various β-carbolines, including nor-harmane, harmane, harmine, harmol, and 7-acetylharmol. The purpose of using these chemicals was to explore the behavior of substituted β-carbolines, prepare nitro-β-carbolines and bromo-β-carbolines, and investigate their potential use as matrices (photosensitizers) in matrix-assisted ultraviolet laser desorption/ionization time-of-flight mass spectrometry (uv-maldi-tof ms). The study also aimed to understand the effects of substituents on the acid-base properties and electronic excited states of these molecules. The researchers compared the use of NBS in solution and in solid state, and employed semiempirical AM1 and PM3 calculations to predict reactivity in terms of molecular orbital energies and charge density. The results provided insights into the regioselectivity of bromination and the influence of the β-carboline/NBS molar ratio and reaction time on product selectivity.

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