4-(Acetylamino)-benzoic acid ethyl ester

Base Information

• Chemical Name: 4-(Acetylamino)-benzoic acid ethyl ester
• CAS No.: 5338-44-3
• Molecular Formula: C11H13NO3
• Molecular Weight: 207.229
• Hs Code.: 2924299090
• Mol file: 5338-44-3.mol

Synonyms:Ethyl 4-acetamidobenzoate;

Chemical Property of 4-(Acetylamino)-benzoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 2.58E-06mmHg at 25°C
• Melting Point: 181 °C
• Refractive Index: 1.556
• Boiling Point: 390.8 °C at 760 mmHg
• PKA: 14.59±0.70(Predicted)
• Flash Point: 190.2 °C
• PSA: 55.40000
• Density: 1.171 g/cm³
• LogP: 1.89470
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-Acetamidobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 4-acetamidobenzoate is a reagent that is used in the synthesis of DAMPA-d3, which is a labeleld antitumor agent.

Technology Process of 4-(Acetylamino)-benzoic acid ethyl ester

There total 22 articles about 4-(Acetylamino)-benzoic acid ethyl 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: 100.0%

acetic anhydride (108-24-7) + p-aminoethylbenzoate (94-09-7) → ethyl p-acetamidobenzoate (5338-44-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 21.5h;

DOI:10.1002/anie.201511385

Reference yield: 98.0%

acetic acid (64-19-7,77671-22-8) + p-aminoethylbenzoate (94-09-7) → ethyl p-acetamidobenzoate (5338-44-3)

Guidance literature:

for 1h; Sonication;

DOI:10.21608/ejchem.2019.13440.1833

Reference yield: 96.0%

acetamide (60-35-5) + 4-iodobenzoic acid ethyl ester (51934-41-9) → ethyl p-acetamidobenzoate (5338-44-3)

Guidance literature:

With potassium phosphate tribasic trihydrate; N,N`-dimethylethylenediamine; In toluene; at 110 ℃; for 10h; Inert atmosphere;

DOI:10.1002/cjoc.201090374

upstream raw materials:

acetic anhydride

p-aminoethylbenzoate

acetic acid

acetyl chloride

Downstream raw materials:

N-[4-(hydrazinecarbonyl)phenyl]acetamide

ethyl 4-(5-methyl-1H-tetrazol-1-yl)benzoate

ethyl 4-(acetylamino)-3-nitrobenzoate

4-[(N-biphenyl-2-yl-acetimidoyl)-amino]-benzoic acid ethyl ester

Refernces

• 1、 Ran, Maogang,He, Jiaxin,Yan, Boyu,Liu, Wenbo,Li, Yi,Fu, Yunfen,Li, Chao-Jun,Yao, Qiuli. "Catalyst-free generation of acyl radicals induced by visible light in water to construct C-N bonds". supporting information. p. 1970 - 1975. Retrieved 2021/03/16.
• 2、 Samanta, Suvendu,Ray, Shounak,Bhaduri, Samanka Narayan,Samanta, Partha Kumar,Biswas, Papu. "3,6-Di(pyridin-2-yl)-1,2,4,5-tetrazine (pytz) catalysed metal-free amide bond formation from thioacids and amines at room temperature". supporting information. . Retrieved 2020/08/10.