2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

Base Information

• Chemical Name: 2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate
• CAS No.: 5261-31-4
• Deprecated CAS: 12223-23-3,39328-03-5,50814-77-2,73299-41-9,39328-03-5,50814-77-2,73299-41-9
• Molecular Formula: C19H17 Cl2 N5 O4
• Molecular Weight: 450.281
• European Community (EC) Number: 226-070-4,602-303-9,841-501-1,841-503-2,841-516-3
• DSSTox Substance ID: DTXSID4063745
• Nikkaji Number: J93.931E
• Mol file: 5261-31-4.mol

Synonyms:Disperse Orange 30;5261-31-4;12223-23-3;C.I. Disperse Orange 30;DisperseOrange30;2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate;2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate;EINECS 226-070-4;2-(N-(2-Cyanoethyl)-4-((2,6-dichloro-4-nitrophenyl)azo)anilino)ethyl acetate;4-((2,6-Dichloro-4-nitrophenyl)azo)-N-(cyanoethyl)-N-(acetoxyethyl)aniline;Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-;2-N-(2-Cyanoethyl)-4-(2,6-dichloro-4-nitrophenyl)azoanilinoethyl acetate;4-(2,6-Dichloro-4-nitrophenylazo)-N-(beta-acetoxyethyl)-N-(beta-cyanoethyl)aniline;Benzenamine, N-(2-acetoxy)ethyl-N-(2-cyano)ethyl-4-(((2,6-dichloro-4-nitro)phenyl)azo)-;Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-((2,6-dichloro-4-nitrophenyl)azo)phenyl)amino)-;3-(4-((2,6-Dichloro-4-nitrophenyl)azo)-N-(2-hydroxyethyl)anilino)propionitrile, acetate (ester);Benzenamine, N-(2-acetoxy)ethyl-N-(2-cyano)ethyl-4-[[(2,6-dichloro-4-nitro)phenyl]azo]-;C.I.Disperse Orange 30;DTXSID4063745;SCHEMBL11305545;C19-H17-Cl2-N5-O4;Disperse Orange 30 (C.I. 11119);3-METHYL-2-BUTEN-1-YLACETACETATE;FT-0625332;FT-0722563;W-110018;DISPERSE LIGHT YELLOW BROWN S-2RFL (C.I. DISPERSE ORANGE 30);2-((2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)diazenyl]anilino)ethyl acetate #;2-[N-(2-cyanoethyl)-4-[(E)-(2,6-dichloro-4-nitro-phenyl)azo]anilino]ethyl acetate;4(N(2-Cyanoethyl)-N(2-acetoxyethyl))amino-2',6'-dichloro-4',-nitroazobenzene;4-(2,6-Dichloro-4-nitrophenylazo)-N-(.beta.-acetoxyethyl)-N-(.beta.-cyanoethyl)aniline;Propanenitrile, 3-((2-(acetyloxy)ethyl)(4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)phenyl)amino)-;Propanenitrile, 3-[[2-(acetyloxy)ethyl][4- [(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-;Propanonitrilo, 3-[[2-(acetiloxi) etil] [4-[2-(2,6-dicloro-4-nitrofenil) diazenil] fenil] amino]-

Chemical Property of 2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 645 °Cat760mmHg
• PKA: 1.16±0.50(Predicted)
• Flash Point: 343.9 °C
• PSA: 123.87000
• Density: 1.38 g/cm³
• LogP: 6.12338
• Water Solubility.: 40μg/L at 20℃
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 449.0657594
• Heavy Atom Count: 30
• Complexity: 645

Purity/Quality:

99.9% ^*data from raw suppliers

DISPERSE ORANGE 30 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl

Technology Process of 2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate

There total 3 articles about 2-[N-(2-Cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]ethyl acetate 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-nitro-2,6-dichloroaniline (99-30-9) + N-β-acetoxyethyl-N-β-cyanoethylaniline (22031-33-0) → 3-[[2-(acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile (5261-31-4,12223-23-3)

Guidance literature:

With 1-ethenyl-2-pyrrolidinone; nitrosylsulfuric acid; sulfuric acid; ammonia; urea; In water; at 0 - 80 ℃; for 1h; pH=5.5-6.5; Large scale;

Reference yield:

N-[(2-acetyloxyethyl)-N-(4-aminophenyl)]-3-aminopropionitrile + 4-nitro-2,6-dichloroaniline (99-30-9) → 3-[[2-(acetyloxy)ethyl][4-[2-(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl]amino]propanenitrile (5261-31-4,12223-23-3)

Guidance literature:

4-nitro-2,6-dichloroaniline; With nitrosylsulfuric acid; sulfuric acid; at 20 - 30 ℃; for 5h; Industrial scale;

N-[(2-acetyloxyethyl)-N-(4-aminophenyl)]-3-aminopropionitrile; With aminosulfonic acid; In water; at 28 ℃; for 4h; Industrial scale;

Reference yield:

→ (E)-2-{[2-cyanoethyl]-{4-[(2,6-dichloro-4-nitrophenyl)diazenyl]phenyl}amino}ethyl acetate (5261-31-4,12223-23-3)

Guidance literature:

Azo-verb.(I)/Ac2O;

upstream raw materials:

4-nitro-2,6-dichloroaniline

N-β-acetoxyethyl-N-β-cyanoethylaniline

Refernces

• 1、 -. "Preparing method of environment-friendly azo dispersing dyestuff". Paragraph 0029-0031; 0032-0034. . Retrieved 2018/04/21.
• 2、 -. "Diazotization method of wet nitroaniline". Paragraph 0028-0031. . Retrieved 2019/01/05.