6-Nitro-2,2-dimethylchromene

Base Information

• Chemical Name: 6-Nitro-2,2-dimethylchromene
• CAS No.: 33143-28-1
• Molecular Formula: C11H11NO3
• Molecular Weight: 205.21000
• DSSTox Substance ID: DTXSID00438905
• Nikkaji Number: J658.681C
• Wikidata: Q82254747
• Mol file: 33143-28-1.mol

Synonyms:6-Nitro-2,2-dimethylchromene;33143-28-1;2,2-dimethyl-6-nitrochromene;2,2-dimethyl-6-nitro-2H-chromene;6-nitro-2,2-dimethyl-2H-benzopyran;SCHEMBL3193294;DTXSID00438905;MJVCBDKNZRGZDF-UHFFFAOYSA-N;2,2,-dimethyl-6-nitro-2H-chromene;2,2-Dimethyl-6-nitro-alpha-chromene;2,2-dimethyl 6-nitro 2H-1-benzopyran;J-019039

Chemical Property of 6-Nitro-2,2-dimethylchromene

Chemical Property:

• Vapor Pressure: 0.00074mmHg at 25°C
• Boiling Point: 316.9oC at 760 mmHg
• Flash Point: 142.2oC
• PSA: 55.05000
• Density: 1.201g/cm3
• LogP: 3.30220
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 205.07389321
• Heavy Atom Count: 15
• Complexity: 293

Purity/Quality:

6-Nitro-2,2-dimethylchromene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=CC(=C2)[N+](=O)[O-])C
• Uses: 6-Nitro-2,2-dimethylchromene is used in the synthesis of chromene functional compounds showing antihypertensive activity. Intermediate in the synthesis of NIP 142 (N478300), an antiarrhythmic drug used in treatments involving cardiac arrythmia.

Technology Process of 6-Nitro-2,2-dimethylchromene

There total 11 articles about 6-Nitro-2,2-dimethylchromene 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: 96.0%

1-(1,1-dimethyl-2-propynyloxy)-4-nitrobenzene (2109-84-4) → 6-nitro-2,2-dimethyl chromene (33143-28-1)

Guidance literature:

at 240 ℃; for 0.0916667h; Flow reactor;

DOI:10.1021/op0100504

Reference yield: 91.0%

4-hydroxy-3-(3-methyl-2-butenyl)nitrobenzene → 6-nitro-2,2-dimethyl chromene (33143-28-1)

Guidance literature:

4-hydroxy-3-(3-methyl-2-butenyl)nitrobenzene; With selenium bromide polystyrene resin; In dichloromethane; at 0 - 25 ℃; for 0.5h;

With dihydrogen peroxide; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1002/(SICI)1521-3773(20000218)39:4<734::AID-ANIE734>3.0.CO;2-I

Reference yield: 75.8%

2,2-dimethyl-6-nitrochroman-4-ol → 6-nitro-2,2-dimethyl chromene (33143-28-1)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 4h; Reflux;

DOI:10.1016/j.molstruc.2021.131417

upstream raw materials:

1-(1,1-dimethyl-2-propynyloxy)-4-nitrobenzene

4-nitro-phenol

1,1-diethoxy-3-methyl-2-butene

5-Nitrosalicylaldehyde

Downstream raw materials:

(3R,4S)-2,2-Dimethyl-6-nitro-4-(4-phenyl-piperazin-1-yl)-chroman-3-ol

2,2-dimethyl-2H-1-benzopyran-6-amine

6-Amino-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran

(3R,4S)-4-(4-(4-methoxyphenyl)piperazin-1-yl)-2,2-dimethyl-6-nitrochroman-3-ol

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