5-Methoxy-2-methylbenzoselenazole

Base Information

• Chemical Name: 5-Methoxy-2-methylbenzoselenazole
• CAS No.: 2946-17-0
• Molecular Formula: C9H9NOSe
• Molecular Weight: 226.137
• Hs Code.: 29310099
• European Community (EC) Number: 220-956-4
• NSC Number: 366221
• UNII: XBH17NOG6U
• DSSTox Substance ID: DTXSID3062736
• Nikkaji Number: J38.309K
• Wikidata: Q72490371
• Mol file: 2946-17-0.mol

Synonyms:5-Methoxy-2-methylbenzoselenazole;2946-17-0;Benzoselenazole, 5-methoxy-2-methyl-;5-Methoxy-2-methylbenzselenazole;5-Methoxy-2-methylbenzo[d][1,3]selenazole;5-Methoxy-2-methyl-1,3-benzoselenazole;2-Methyl-5-methoxybenzoselenazole;XBH17NOG6U;EINECS 220-956-4;NSC 366221;NSC-366221;NSC366221;C9H9NOSe;UNII-XBH17NOG6U;C9-H9-N-O-Se;SCHEMBL4404506;DTXSID3062736;(S)-1-Cbz-2-piperidinecarboxamide;MFCD00005558;AKOS015851794;5-Methoxy-2-methylbenzselenazole, 98%;5-Methoxy-2-methyl-1,3-benzoselenazole #;FT-0620555;M1900;D91549;J-017525

Chemical Property of 5-Methoxy-2-methylbenzoselenazole

Chemical Property:

• Appearance/Colour: clear orange-red liquid
• Vapor Pressure: 0.00104mmHg at 25°C
• Refractive Index: n20/D 1.639(lit.)
• Boiling Point: 311.3 °C at 760 mmHg
• Flash Point: 122.4 °C
• PSA: 22.12000
• Density: 1.491 g/mL at 25 °C(lit.)
• LogP: 1.60880
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.98494
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methoxy-2-methylbenzoselenazole >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TN
• Hazard Codes: T,N
• Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=C([Se]1)C=CC(=C2)OC

Technology Process of 5-Methoxy-2-methylbenzoselenazole

There total 6 articles about 5-Methoxy-2-methylbenzoselenazole 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: 21.0%

N-(2-iodo-5-methoxyphenyl)acetamide → 5-methoxy-2-methyl-benzoselenazole (2946-17-0)

Guidance literature:

With triethylamine; woollins’ reagent; at 160 ℃; for 3h; Microwave irradiation; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.07.055

Reference yield:

2-iodo-5-methoxyaniline (153898-63-6) → 5-methoxy-2-methyl-benzoselenazole (2946-17-0)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene / 3 h / 20 °C

2: woollins’ reagent; triethylamine / 3 h / 160 °C / Microwave irradiation; Inert atmosphere

With triethylamine; woollins’ reagent; In toluene;

DOI:10.1016/j.tetlet.2014.07.055

Reference yield:

bis(4-methoxy-2-nitrophenyl) diselenide (35350-45-9) → 5-methoxy-2-methyl-benzoselenazole (2946-17-0)

Guidance literature:

With acetic acid; zinc; anschliessendes Behandeln mit Acetylchlorid;

upstream raw materials:

bis(4-methoxy-2-nitrophenyl) diselenide

bis(4-methoxy-2-aminophenyl) diselenide

4-methoxy-2-nitro-phenyl selenocyanate

2-iodo-5-methoxyaniline

Downstream raw materials:

2-(5-methoxy-3-methyl-3H-benzoselenazol-2-ylidene)-1,3-diphenyl-propane-1,3-dione

2-(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)-1,3-diphenyl-propane-1,3-dione

5-methoxy-3-(4-carboxybutyl)-2-methylbenzoselenazolium bromide

3-ethyl-5-methoxy-2-methyl-benzoselenazolium; toluene-4-sulfonate

Refernces