Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro-
• CAS No.: 62443-96-3
• Molecular Formula: C12H17N3O7S
• Molecular Weight: 347.349
• DSSTox Substance ID: DTXSID20477856
• Wikidata: Q82310873

Synonyms:62443-96-3;Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro-;Oryzalin metabolite OR-21;DTXSID20477856;NS00067605

Chemical Property of Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 347.07872106
• Heavy Atom Count: 23
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Technology Process of Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro-

There total 1 articles about Benzenesulfonic acid, 4-(dipropylamino)-3,5-dinitro- 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:

4-chloro-3,5-dinitrobenzenesulfonic acid (88-91-5) + di-n-propylamine (142-84-7) → 4-dipropylamino-3,5-dinitro-benzenesulfonic acid (62443-96-3)

Guidance literature:

Heating;

DOI:10.1016/S0960-894X(02)00465-1

Reference yield:

4-dipropylamino-3,5-dinitro-benzenesulfonic acid (62443-96-3) → oryzalin (19044-88-3)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / CH₂Cl₂

2: NH₃ / methanol / 50 °C

With phosphorus pentachloride; ammonia; In methanol; dichloromethane;

DOI:10.1016/S0960-894X(02)00465-1

Reference yield:

4-dipropylamino-3,5-dinitro-benzenesulfonic acid (62443-96-3) → 3,5-dinitro-N4,N4-di-n-propylsulfonyl chloride (37851-36-8)

Guidance literature:

With phosphorus pentachloride; In dichloromethane;

DOI:10.1016/S0960-894X(02)00465-1

upstream raw materials:

4-chloro-3,5-dinitrobenzenesulfonic acid

di-n-propylamine

Downstream raw materials:

3,5-dinitro-N⁴,N⁴-di-n-propylsulfonyl chloride

oryzalin

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