N-(4-Butyl-2-nitrophenyl)acetamide

Base Information

• Chemical Name: N-(4-Butyl-2-nitrophenyl)acetamide
• CAS No.: 3663-21-6
• Molecular Formula: C12H16N2O3
• Molecular Weight: 236.271
• European Community (EC) Number: 222-915-6
• UNII: GQ46UP59Q3
• DSSTox Substance ID: DTXSID8074601
• Nikkaji Number: J205.575I
• Wikidata: Q82002871
• Mol file: 3663-21-6.mol

Synonyms:N-(4-Butyl-2-nitrophenyl)acetamide;3663-21-6;Acetamide, N-(4-butyl-2-nitrophenyl)-;EINECS 222-915-6;GQ46UP59Q3;UNII-GQ46UP59Q3;SCHEMBL7203391;DTXSID8074601;F18185

Chemical Property of N-(4-Butyl-2-nitrophenyl)acetamide

Chemical Property:

• Vapor Pressure: 1.87E-07mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 425.7 °C at 760 mmHg
• Flash Point: 211.3 °C
• PSA: 78.41000
• Density: 1.18 g/cm³
• LogP: 4.06850
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.11609238
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

99%, ^*data from raw suppliers

N-(4-BUTYL-2-NITROPHENYL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

Technology Process of N-(4-Butyl-2-nitrophenyl)acetamide

There total 8 articles about N-(4-Butyl-2-nitrophenyl)acetamide 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: 98.3%

N-(4-butylphenyl)acetamide (3663-20-5) → N-(4-butyl-2-nitrophenyl)acetamide (3663-21-6)

Guidance literature:

With nitric acid; acetic acid; for 1h; Ambient temperature;

Reference yield:

4-Butylaniline (104-13-2) → N-(4-butyl-2-nitrophenyl)acetamide (3663-21-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / cc. sulphuric acid / 1 h / 50 °C

2: 70 percent / fuming nitric acid, acetic anhydride / acetic acid / 6 h / -15 °C

With nitric acid; acetic anhydride; sulfuric acid; In acetic acid;

Reference yield:

1-butylbenzene (104-51-8) → N-(4-butyl-2-nitrophenyl)acetamide (3663-21-6)

Guidance literature:

Multi-step reaction with 4 steps

1: glacial acetic acid; fuming nitric acid / 10 °C

2: tin; hydrochloric acid

4: glacial acetic acid; nitric acid / -5 - 5 °C

With hydrogenchloride; tin; nitric acid; acetic acid;

DOI:10.1021/ja01393a041

upstream raw materials:

N-(4-butylphenyl)acetamide

nitric acid

acetic acid

4-Butylaniline

Downstream raw materials:

5-n-butyl-1H-benzotriazole

m-(n-butyl)-aniline

1-butyl-3-nitro-benzene

4-n-butyl-1,2-phenylenediamine

Refernces

• 1、 -. "5-n-butyl-1H-benzotriazole synthesis process". Paragraph 0011. . Retrieved 2016/12/01.
• 2、 Krati, Noureddine,Roizard, Denis,Brembilla, Alain,Lochon, Pierre. "Nouveaux diamino-3,4 phenylalcanes et leur transformation en benzimidazolemethanethiols-2". . p. 443 - 448. Retrieved 2007/10/02.