Nitrosodurene

Base Information

• Chemical Name: Nitrosodurene
• CAS No.: 38899-21-7
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• DSSTox Substance ID: DTXSID70372862
• Nikkaji Number: J260.984C
• Wikidata: Q63399824
• Mol file: 38899-21-7.mol

Synonyms:nitrosodurene;38899-21-7;nitrosodurol;1-Nitroso-2,3,5,6-tetramethylbenzene;Benzene, 1,2,4,5-tetramethyl-3-nitroso-;SCHEMBL8634652;DTXSID70372862;2,3,5,6-tetramethyl-nitrosobenzene;AKOS004901816;Q63399824

Chemical Property of Nitrosodurene

Chemical Property:

• Melting Point: 160 °C (decomp)
• Boiling Point: 281.1±40.0 °C(Predicted)
• PSA: 29.43000
• Density: 0.99±0.1 g/cm3(Predicted)
• LogP: 3.31810
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)N=O)C)C

Technology Process of Nitrosodurene

There total 2 articles about Nitrosodurene 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:

ethyl nitrite (109-95-5) → 2,3,5,6-tetramethylnitrosobenzene (38899-21-7)

Guidance literature:

With hydrogenchloride; chloroform; acetic acid;

DOI:10.1021/ja01315a043

Reference yield:

→ 2,3,5,6-tetramethylnitrosobenzene (38899-21-7)

Guidance literature:

Acetoxymercurodurol;

Reference yield: 93.0%

2,3,5,6-tetramethylnitrosobenzene (38899-21-7) + C7H7NO(2-)*2Br(1-)*2Mg(2+) → (4-Methoxy-phenyl)-(2,3,5,6-tetramethyl-phenyl)-diazene

Guidance literature:

In tetrahydrofuran; at 55 ℃; for 3h;

DOI:10.1246/bcsj.56.199

upstream raw materials:

ethyl nitrite

Downstream raw materials:

2,3,5,6-tetramethylnitrobenzene

2,3,5,6-tetramethylaniline

C₁₁H₁₃Cl₃NO

C₁₃H₁₇Cl₃NO