2-Methoxy-10H-phenothiazine

Base Information

• Chemical Name: 2-Methoxy-10H-phenothiazine
• CAS No.: 1771-18-2
• Molecular Formula: C13H11NOS
• Molecular Weight: 229.302
• Hs Code.: 2934300000
• European Community (EC) Number: 217-195-5
• NSC Number: 72107
• DSSTox Substance ID: DTXSID70170249
• Nikkaji Number: J25.658G
• Wikidata: Q27216232
• Pharos Ligand ID: W4VXDM4FBGXS
• ChEMBL ID: CHEMBL64404
• Mol file: 1771-18-2.mol

Synonyms:2-Methoxyphenothiazine;2-Methoxy-10H-phenothiazine;1771-18-2;10H-Phenothiazine, 2-methoxy-;Phenothiazine, 2-methoxy-;Methyl phenothiazin-2-yl ether;C13H11NOS;MFCD00037838;NSC 72107;CHEMBL64404;EINECS 217-195-5;NSC72107;2methoxy-phenothiazine;TimTec1_000536;Oprea1_747823;cid_74490;SCHEMBL239600;DTXSID70170249;CHEBI:125620;HMS1535I08;BDBM50012881;NSC-72107;STK400090;AKOS001305620;AM10783;CS-W012974;HY-W012258;AC-16556;AS-59826;SY053063;FT-0612858;M0822;EN300-02378;D91390;SR-03000000753-1;W-107831;BRD-K70980943-001-01-1;Q27216232;Z87002126

Chemical Property of 2-Methoxy-10H-phenothiazine

Chemical Property:

• Appearance/Colour: orange yellow crystal powder
• Vapor Pressure: 7.17E-07mmHg at 25°C
• Melting Point: 185-188 °C
• Refractive Index: 1.646
• Boiling Point: 408.1 °C at 760 mmHg
• PKA: -1.32±0.20(Predicted)
• Flash Point: 200.6 °C
• PSA: 46.56000
• Density: 1.235 g/cm³
• LogP: 4.04140
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol (Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 229.05613515
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxyphenothiazine >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3N2
• Chemical Composition and Structure: 2-Methoxy-10H-phenothiazine belongs to the phenothiazine class of compounds and contains a phenothiazine core substituted with a methoxy group at the 2-position. It can be synthesized through specific chemical reactions involving phenothiazine derivatives.
• Uses: Bioactive Compounds: ; Acts as a building block for the synthesis of bioactive compounds, including fluorescent probes and dyes used in biochemical research and bioanalytical applications.; ; Antipsychotic and Sedative Properties: ; Phenothiazines, including 2-Methoxy-10H-phenothiazine derivatives, have historically been used for their antipsychotic, sedative, and antiemetic properties in the treatment of mental and emotional disorders.
• Analysis Method: Analytical methods for the characterization of 2-Methoxy-10H-phenothiazine and its derivatives may include spectroscopic techniques (e.g., NMR, IR, UV-Vis), chromatography (e.g., HPLC, GC), and elemental analysis for structural and compositional analysis.

Technology Process of 2-Methoxy-10H-phenothiazine

There total 10 articles about 2-Methoxy-10H-phenothiazine 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: 88.2%

3-methoxy-N-phenylaniline (101-16-6) → 4-methoxy-10H-phenothiazine (61174-11-6) + 2-methoxy-10H-phenothiazine (1771-18-2)

Guidance literature:

With iodine; sulfur; In polysubstituded aromatics; at 120 - 163 ℃;

DOI:10.1002/jhet.750

Reference yield: 69.5%

3-methoxy-N-phenylaniline (101-16-6) → 2-methoxy-10H-phenothiazine (1771-18-2)

Guidance literature:

With iodine; sulfur; In benzene; at 100 ℃; for 10h; Solvent; Temperature;

Reference yield:

2-((2-bromophenyl)thio)-5-methoxyaniline (4726-28-7) → 2-methoxy-10H-phenothiazine (1771-18-2)

Guidance literature:

With copper(l) iodide; potassium carbonate; L-proline; In ethyl methyl ether; at 110 ℃; for 50h; Inert atmosphere;

DOI:10.1002/anie.200905646

upstream raw materials:

3-methoxy-N-phenylaniline

2-Methoxy-phenothiazine-10-carboxylic acid hydrazide

2-((2-bromophenyl)thio)-5-methoxyaniline

aniline

Downstream raw materials:

2-methoxy-10-(4-methoxybenzoyl)-10H-phenothiazine-5-oxide

2-methoxy-10-(4-methoxybenzoyl)-10H-phenothiazine-5,5-dioxide

2-methoxy-10-(4-methoxybenzoyl)-10H-phenothiazine

2-methoxypromazine

Refernces

• 1、 -. "A 2-methoxy phenothiazine synthesis method (by machine translation)". . . Retrieved 2016/10/24.
• 2、 Dawei, Ma.,Geng, Qian,Zhang, Hui,Jiang, Yongwen. "Assembly of substituted phenothiazines by a sequentially controlled CuI/L-proline-catalyzed cascade C-S and C-N bond formation". supporting information; experimental part. p. 1291 - 1294. Retrieved 2010/05/17.