Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester

Base Information

• Chemical Name: Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester
• CAS No.: 54029-46-8
• Molecular Formula: C9H7N3O3S
• Molecular Weight: 237.239
• DSSTox Substance ID: DTXSID60429117
• Wikidata: Q82242033

Synonyms:54029-46-8;Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester;SCHEMBL10828000;DTXSID60429117;RLPLNYIDEVVEBK-UHFFFAOYSA-N;AKOS000430096;1-acetamido-2-nitro-4-thiocyanatobenzene

Chemical Property of Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.02081227
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)SC#N)[N+](=O)[O-]

Technology Process of Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester

There total 3 articles about Thiocyanic acid, 4-(acetylamino)-3-nitrophenyl ester 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:

N-(4-thiocyanatophenyl)acetamide (3321-94-6) → 2-nitro-4-thiocyanoaniline (54029-45-7) + acetic acid-(2-nitro-4-thiocyanato-anilide) (54029-46-8)

Guidance literature:

With sulfuric acid; nitric acid; at 3 ℃;

Reference yield:

N-(4-thiocyanatophenyl)acetamide (3321-94-6) → 2-nitro-4-thiocyanoaniline (54029-45-7) + acetic acid-(2-nitro-4-thiocyanato-anilide) (54029-46-8)

Guidance literature:

at 3 ℃;

Reference yield:

4-thiocyanatoaniline (2987-46-4) → acetic acid-(2-nitro-4-thiocyanato-anilide) (54029-46-8)

Guidance literature:

Multi-step reaction with 2 steps

2: HNO₃+H₂SO₄ / 3 °C

With sulfuric acid; nitric acid;

upstream raw materials:

N-(4-thiocyanatophenyl)acetamide

4-thiocyanatoaniline

Downstream raw materials:

2-nitro-4-thiocyanoaniline

2-amino-4-propylthio-acetanilide

C₁₆H₂₂N₄O₅S

bis(4-amino-3-nitrophenyl) disulfide

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