4-Nitro-2-propoxyaniline

Base Information

• Chemical Name: 4-Nitro-2-propoxyaniline
• CAS No.: 105168-92-1
• Molecular Formula: C9H12 N2 O3
• Molecular Weight: 196.206
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID20468401
• Wikidata: Q82295578
• Mol file: 105168-92-1.mol

Synonyms:4-nitro-2-propoxyaniline;105168-92-1;4-NITRO-2-PROPOXY-PHENYLAMINE;4-Nitro-2-propoxyphenylamine;4-Nitro-2-propyloxy-anilin;SCHEMBL3294199;DTXSID20468401;AKOS006290849;AKOS015965176;3-OXO-4-INDAZOLINECARBOXYLICACID;AE-562/43461437

Chemical Property of 4-Nitro-2-propoxyaniline

Chemical Property:

• PSA: 81.07000
• LogP: 3.07020
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

≥99% ^*data from raw suppliers

4-Nitro-2-propoxyphenylamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=CC(=C1)[N+](=O)[O-])N

Technology Process of 4-Nitro-2-propoxyaniline

There total 5 articles about 4-Nitro-2-propoxyaniline 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: 87.0%

1-iodo-propane (107-08-4) + 5-Nitro-2-aminophenol (121-88-0) → 2-propyloxy-4-nitroaniline (105168-92-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 5h; Heating;

DOI:10.1016/j.bmcl.2006.10.065

Reference yield: 82.8%

→ 2-propyloxy-4-nitroaniline (105168-92-1)

Guidance literature:

Reference yield:

acetic acid-(2-propoxy-anilide) (55792-51-3) → 2-amino-4-nitro-1-propoxybenzene (553-79-7) + 2-propyloxy-4-nitroaniline (105168-92-1)

Guidance literature:

With water; nitric acid; Erhitzen des Reaktionsprodukts mit wss.Salzsaeure;

upstream raw materials:

acetic acid-(2-propoxy-anilide)

1-iodo-propane

5-Nitro-2-aminophenol

Downstream raw materials:

N-(4-Nitro-2-propoxy-phenyl)-acetamide

N-(2-n-propyloxy-4-nitrophenyl)methanesulfonamide

C₂₁H₂₃N₅O₇S

C₂₁H₂₃N₅O₇S

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