4-(4-Ethylphenyl)butanoic acid

Base Information

• Chemical Name: 4-(4-Ethylphenyl)butanoic acid
• CAS No.: 5467-53-8
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2916399090
• NSC Number: 28058
• DSSTox Substance ID: DTXSID80282802
• Wikidata: Q72472775
• Mol file: 5467-53-8.mol

Synonyms:4-(4-ethylphenyl)butanoic acid;5467-53-8;4-Ethylbenzenebutanoic acid;NSC28058;SCHEMBL80973;4-(4-ethylphenyl)butanoicacid;DTXSID80282802;4-(4-Ethylphenyl)-butanoic acid;IDXWSFCOUZYCMF-UHFFFAOYSA-N;MFCD01462080;NSC-28058;AKOS000345141;4-(4-ETHYLPHENYL)BUTYRIC ACID;TS-00263;CS-0152505;FT-0714504;N12226;EN300-1086809;A870384;Z336286030

Chemical Property of 4-(4-Ethylphenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Melting Point: 74℃
• Refractive Index: 1.527
• Boiling Point: 321.8 °C at 760 mmHg
• Flash Point: 218.8 °C
• PSA: 37.30000
• Density: 1.052g/cm³
• LogP: 2.65630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

4-(4-ethylphenyl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)CCCC(=O)O

Technology Process of 4-(4-Ethylphenyl)butanoic acid

There total 8 articles about 4-(4-Ethylphenyl)butanoic acid 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: 90.0%

4-(4-ethylphenyl)-4-oxobutyric acid (49594-75-4) → γ-(p-ethylphenyl)butyric acid (5467-53-8)

Guidance literature:

Huang-Minlon;

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → γ-(p-ethylphenyl)butyric acid (5467-53-8)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / 1,2-dichloro-ethane / 4 h

2: hydrazine hydrate, potassium hydroxide / ethane-1,2-diol / 20 - 160 °C

With potassium hydroxide; aluminium trichloride; hydrazine hydrate; In ethylene glycol; 1,2-dichloro-ethane;

DOI:10.1016/0223-5234(96)85877-6

Reference yield:

4-(4-ethyl-phenyl)-butyric acid ethyl ester (412321-18-7) → γ-(p-ethylphenyl)butyric acid (5467-53-8)

Guidance literature:

4-(4-ethyl-phenyl)-butyric acid ethyl ester; With sodium hydroxide; water; In ethanol; for 4h; Heating / reflux;

With hydrogenchloride; In water;

upstream raw materials:

4-butanolide

ethylbenzene

4-(4-ethylphenyl)-4-oxobutyric acid

4-(4-ethylphenyl)butanenitrile

Downstream raw materials:

[5-(2-Chloro-phenyl)-7-[2-(4-ethyl-phenyl)-ethyl]-1,3-dihydro-thieno[2,3-e][1,4]diazepin-(2Z)-ylidene]-hydrazine

2-Amino-N-{3-(2-chloro-benzoyl)-5-[2-(4-ethyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide

2-Chloro-N-{3-(2-chloro-benzoyl)-5-[2-(4-ethyl-phenyl)-ethyl]-thiophen-2-yl}-acetamide

5-(2-Chloro-phenyl)-7-[2-(4-ethyl-phenyl)-ethyl]-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one

Refernces

• 1、 Trivedi-Parmar, Vinay,Robertson, Michael J.,Cisneros, José A.,Krimmer, Stefan G.,Jorgensen, William L.. "Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor". supporting information. p. 1092 - 1097. Retrieved 2018/04/30.
• 2、 -. "4,5-DIHYDRONAPHTHO [1,2-b] THIOPHENE DERIVATIVE". Page/Page column 12. . Retrieved 2010/11/08.