5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane

Base Information

• Chemical Name: 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane
• CAS No.: 23281-36-9
• Molecular Formula: C12H15 N O4
• Molecular Weight: 237.255
• Hs Code.: 2934999090
• NSC Number: 48561
• DSSTox Substance ID: DTXSID50286998
• Wikidata: Q82022885
• Mol file: 23281-36-9.mol

Synonyms:5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane;23281-36-9;MLS002667195;NSC48561;DTXSID50286998;HMS3089G03;NSC-48561;SMR001556966;SR-01000197102;SR-01000197102-1

Chemical Property of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.000257mmHg at 25°C
• Boiling Point: 333.9°Cat760mmHg
• Flash Point: 139°C
• PSA: 64.28000
• Density: 1.168g/cm³
• LogP: 3.18960
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 277

Purity/Quality:

5,5-DIMETHYL-2-(3-NITROPHENYL)-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(OC1)C2=CC(=CC=C2)[N+](=O)[O-])C

Technology Process of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane

There total 1 articles about 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane 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: 95.0%

3-nitro-benzaldehyde (99-61-6) + 2,2-Dimethyl-1,3-propanediol (126-30-7) → 5,5-dimethyl-2-(3'-nitrophenyl)-1,3-dioxane (23281-36-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 140 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2009.04.083

Reference yield: 100.0%

5,5-dimethyl-2-(3'-nitrophenyl)-1,3-dioxane (23281-36-9) → 2-(3'-aminophenyl)-5,5-dimethyl-1,3-dioxane (51226-12-1)

Guidance literature:

With platinum(IV) oxide; hydrogen; In ethyl acetate; at 20 ℃; for 20h;

DOI:10.1016/j.tet.2009.04.083

Reference yield:

5,5-dimethyl-2-(3'-nitrophenyl)-1,3-dioxane (23281-36-9) → C12H15NO4(1-)*K(1+)

Guidance literature:

With potassium cyclooctatetraenyl; In tetrahydrofuran;

upstream raw materials:

3-nitro-benzaldehyde

2,2-Dimethyl-1,3-propanediol

Downstream raw materials:

2-(3'-aminophenyl)-5,5-dimethyl-1,3-dioxane

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