Ethyl 4-(4-aminophenyl)butanoate

Base Information

• Chemical Name: Ethyl 4-(4-aminophenyl)butanoate
• CAS No.: 15116-32-2
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID50434154
• Wikidata: Q82248487
• Mol file: 15116-32-2.mol

Synonyms:Ethyl 4-(4-aminophenyl)butanoate;15116-32-2;SCHEMBL1467579;ethyl 4-(4-aminophenyl)butyrate;DTXSID50434154;LQQLBFZHJXGMCR-UHFFFAOYSA-N;AKOS015891578;SB77573;4-(4-aminophenyl)butyric acid ethyl ester;4-(4-amino-phenyl)butyric acid ethyl ester;4-(4-aminophenyl)-butyric acid ethyl ester;FT-0733790;4-(4-amino-phenyl)-butyric acid ethyl ester;EN300-6747814

Chemical Property of Ethyl 4-(4-aminophenyl)butanoate

Chemical Property:

• Boiling Point: 338.179 °C at 760 mmHg
• Flash Point: 185.985 °C
• PSA: 52.32000
• Density: 1.068 g/cm³
• LogP: 2.73580
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-(4-aminophenyl)butanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCC1=CC=C(C=C1)N

Technology Process of Ethyl 4-(4-aminophenyl)butanoate

There total 13 articles about Ethyl 4-(4-aminophenyl)butanoate 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: 97.0%

diazoacetic acid ethyl ester (623-73-4) + 4-vinyl benzylamine (1520-21-4,25086-42-4) → 4-(4-amino-phenyl)-butyric acid ethyl ester (15116-32-2)

Guidance literature:

With p-cresol; tris(bipyridine)ruthenium(II) dichloride hexahydrate; In dichloromethane; at 25 ℃; for 12h; Irradiation;

Reference yield: 33.0%

Ethyl 4-bromobutyrate (2969-81-5) + 4-bromo-aniline (106-40-1) → 4-(4-amino-phenyl)-butyric acid ethyl ester (15116-32-2) + ethyl 4-(4-((4-ethoxy-4-oxobutyl)amino)phenyl)butanoate

Guidance literature:

With manganese; dichloro(2,2'-bipyridine)nickel(II); potassium iodide; In N,N-dimethyl acetamide; for 4h; Inert atmosphere; Milling;

DOI:10.1039/d1nj01732b

Reference yield:

4-(4-aminophenyl)butyric Acid (15118-60-2) → 4-(4-amino-phenyl)-butyric acid ethyl ester (15116-32-2)

Guidance literature:

With hydrogenchloride; sulfuric acid; In ethanol; dichloromethane; water;

upstream raw materials:

2,2-diethoxy-5-(4-nitro-phenyl)-2,3-dihydro-furan

diazoacetic acid ethyl ester

4-nitrostyrene

4-(4-aminophenyl)butyric Acid

Downstream raw materials:

4-(4-hexadecylaminophenyl)butyric acid

chlorambucil

ethyl 4-<4'-phenyl>butanoate

4-[4-(3-dimethylamino-benzoylamino)-phenyl]-butyric acid ethyl ester

Refernces

• 1、 Wu, Sisi,Shi, Weijia,Zou, Gang. "Mechanical metal activation for Ni-catalyzed, Mn-mediated cross-electrophile coupling between aryl and alkyl bromides". supporting information. p. 11269 - 11274. Retrieved 2021/07/02.
• 2、 Su, Yong-Liang,Liu, Geng-Xin,Liu, Jun-Wen,Tram, Linh,Qiu, Huang,Doyle, Michael P.. "Radical-Mediated Strategies for the Functionalization of Alkenes with Diazo Compounds". supporting information. p. 13846 - 13855. Retrieved 2020/09/21.