3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile

Base Information

• Chemical Name: 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile
• CAS No.: 123548-56-1
• Molecular Formula: C15H14 Cl N3 O6
• Molecular Weight: 367.74
• Mol file: 123548-56-1.mol

Synonyms:Acreozast;TYB 2285

Chemical Property of 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile

Chemical Property:

• Vapor Pressure: 8.03E-14mmHg at 25°C
• Melting Point: 193-195 °C(Solv: ethanol (64-17-5))
• Boiling Point: 588.3°Cat760mmHg
• PKA: 10.67±0.70(Predicted)
• Flash Point: 309.6°C
• PSA: 141.57000
• Density: 1.43g/cm³
• LogP: 2.51388

Purity/Quality:

98%,99%, ^*data from raw suppliers

ACREOZAST 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile

There total 1 articles about 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile 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: 29.0%

2-chloro-5-cyano-1,3-phenylenediamine (34207-46-0) + Acetoxyacetyl chloride (13831-31-7) → 3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile (123548-56-1)

Guidance literature:

With pyridine; for 3h; Ambient temperature;

DOI:10.1016/S0968-0896(98)00066-2

Reference yield: 62.0%

3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile (123548-56-1) → 3,5-bis(hydroxyacetylamino)-4-chlorobenzonitrile (123548-57-2)

Guidance literature:

With ammonium hydroxide; In methanol; for 2h; Ambient temperature;

DOI:10.1016/S0968-0896(98)00066-2

Reference yield:

3,5-bis(acetoxyacetylamino)-4-chlorobenzonitrile (123548-56-1) → 3,5-bis(propionyloxyacetylamino)-4-chlorobenzonitrile

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / aq. NH₃ / methanol / 2 h / Ambient temperature

2: 30 percent / pyridine / 1 h / Ambient temperature

With pyridine; ammonium hydroxide; In methanol;

DOI:10.1016/S0968-0896(98)00066-2

upstream raw materials:

2-chloro-5-cyano-1,3-phenylenediamine

Acetoxyacetyl chloride

Downstream raw materials:

3,5-bis(hydroxyacetylamino)-4-chlorobenzonitrile