1-Deoxy-1-(2,4-dinitroanilino)hexitol

Base Information

• Chemical Name: 1-Deoxy-1-(2,4-dinitroanilino)hexitol
• CAS No.: 24808-42-2
• Molecular Formula: C₁₂H₁₇N₃O₉
• Molecular Weight: 347.282
• NSC Number: 89872
• DSSTox Substance ID: DTXSID40947723
• Mol file: 24808-42-2.mol

Synonyms:24808-42-2;NSC89872;1-Deoxy-1-(2,4-dinitroanilino)hexitol;DTXSID40947723;NSC-89872

Chemical Property of 1-Deoxy-1-(2,4-dinitroanilino)hexitol

Chemical Property:

• Vapor Pressure: 8.51E-24mmHg at 25°C
• Boiling Point: 752.6°Cat760mmHg
• Flash Point: 408.9°C
• Density: 1.701g/cm³
• XLogP3: -1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 347.09647913
• Heavy Atom Count: 24
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(C(C(C(CO)O)O)O)O

Technology Process of 1-Deoxy-1-(2,4-dinitroanilino)hexitol

There total 4 articles about 1-Deoxy-1-(2,4-dinitroanilino)hexitol 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:

1-Amino-1-deoxy-D-glucitol (488-43-7) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(2,4-dinitro-anilino)-1-deoxy-D-glucitol (24808-42-2)

Guidance literature:

DOI:10.1021/jo01355a629

Reference yield:

1-Amino-1-deoxy-D-glucitol (488-43-7) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → 1-(2,4-dinitro-anilino)-1-deoxy-D-glucitol (24808-42-2)

Guidance literature:

Reference yield:

ethanol (64-17-5) + 1-Amino-1-deoxy-D-glucitol (488-43-7) + sodium acetate (127-09-3) + 1-chloro-2,4-dinitro-benzene (97-00-7) → 1-(2,4-dinitro-anilino)-1-deoxy-D-glucitol (24808-42-2)

Guidance literature:

DOI:10.1021/jo01355a629

upstream raw materials:

1-Amino-1-deoxy-D-glucitol

2,4-Dinitrofluorobenzene

ethanol

sodium acetate