2-Methyl-3-nitro-2H-1-benzopyran

Base Information

• Chemical Name: 2-Methyl-3-nitro-2H-1-benzopyran
• CAS No.: 40345-75-3
• Molecular Formula: C10H9NO3
• Molecular Weight: 191.1834
• DSSTox Substance ID: DTXSID30960769
• Nikkaji Number: J36.045G
• Mol file: 40345-75-3.mol

Synonyms:2-Methyl-3-nitro-2H-1-benzopyran;40345-75-3;BRN 0156061;2H-1-BENZOPYRAN, 2-METHYL-3-NITRO-;4-17-00-00508 (Beilstein Handbook Reference);SCHEMBL11406739;DTXSID30960769;LS-39303

Chemical Property of 2-Methyl-3-nitro-2H-1-benzopyran

Chemical Property:

• Vapor Pressure: 0.000995mmHg at 25°C
• Boiling Point: 312°Cat760mmHg
• Flash Point: 147.9°C
• PSA: 55.05000
• Density: 1.28g/cm³
• LogP: 2.60830
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 269

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=CC2=CC=CC=C2O1)[N+](=O)[O-]

Technology Process of 2-Methyl-3-nitro-2H-1-benzopyran

There total 4 articles about 2-Methyl-3-nitro-2H-1-benzopyran 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: 56.0%

(E)-1-nitroprop-1-ene (17082-05-2) + 2-methyl-benzyl alcohol (89-95-2) → 2-Methyl-3-nitro-2H-chromen (40345-75-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 20 ℃; for 28h;

DOI:10.1016/S0040-4039(01)00284-2

Reference yield: 24.0%

3-Nitropropen (625-46-7) + 2-methyl-benzyl alcohol (89-95-2) → 2-Methyl-3-nitro-2H-chromen (40345-75-3)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; at 20 ℃; for 19.5h;

DOI:10.1016/S0040-4039(01)00284-2

Reference yield:

salicylaldehyde (90-02-8) → 2-Methyl-3-nitro-2H-chromen (40345-75-3) + 2-Methyl-3-nitro-chroman-4-ol

Guidance literature:

With ethanol; sodium ethanolate;

DOI:10.1021/ja01182a046

upstream raw materials:

salicylaldehyde

3-Nitropropen

2-methyl-benzyl alcohol

(E)-1-nitroprop-1-ene

Refernces

• 1、 Yan, Ming-Chung,Jang, Yeong-Jiunn,Yao, Ching-Fa. "An easy and efficient method for the synthesis of 2,2-dialkyl-3-nitrochromene". . p. 2717 - 2721. Retrieved 2015/09/10.