4-(4-Chlorophenyl)butyric acid

Base Information

• Chemical Name: 4-(4-Chlorophenyl)butyric acid
• CAS No.: 4619-18-5
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• Hs Code.: 29163990
• European Community (EC) Number: 809-396-7
• NSC Number: 90008
• DSSTox Substance ID: DTXSID40293499
• Nikkaji Number: J697.053B
• Wikidata: Q72456626
• Mol file: 4619-18-5.mol

Synonyms:4619-18-5;4-(4-Chlorophenyl)butyric acid;4-(4-Chlorophenyl)butanoic acid;4-(4-Chlorophenyl)butanic acid;benzenebutanoic acid, 4-chloro-;4-(4-Chloro-phenyl)-butyric acid;MFCD06810494;4-(4-chlorophenyl)butyricacid;Benzenebutanoic acid,4-chloro-;NSC90008;4-Chlorobenzenebutanoic acid;NCIOpen2_001379;SCHEMBL1570239;4-(p-chlorophenyl)butanoic acid;DTXSID40293499;3-(4-chlorobenzyl) propionic acid;BCP10717;4-(4-Chlorophenyl)-n-butyric acid;4-(4-Chlorophenyl)butanoic acid #;NSC-90008;AKOS000345168;SS-3645;s10904;AC-31094;SY033190;CS-0158401;FT-0746376;EN300-43660;A18799;Z336286026;4-(4-chlorophenyl)butanoic acid;4-(4-Chlorophenyl)butyric Acid

Chemical Property of 4-(4-Chlorophenyl)butyric acid

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 55 °C
• Refractive Index: 1.549
• Boiling Point: 323 °C at 760 mmHg
• PKA: 4.74±0.10(Predicted)
• Flash Point: 149.2 °C
• PSA: 37.30000
• Density: 1.227 g/cm³
• LogP: 2.74730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

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

4-(4-Chlorophenyl)butyricAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCC(=O)O)Cl

Technology Process of 4-(4-Chlorophenyl)butyric acid

There total 16 articles about 4-(4-Chlorophenyl)butyric 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: 96.0%

4-(4-chlorophenyl)-4-oxobutanoic acid (3984-34-7) → 4-(4-chlorophenyl)butanoic acid (4619-18-5)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In dichloromethane; water; diethylene glycol;

Reference yield: 96.0%

4-(4-chlorophenyl)-4-oxobutanoic acid (3984-34-7) → (2S)-3-[3-ethyoxycarbonyl)-4-(2-ethoxy-2-oxoethoxy)phenyl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid + 4-(4-chlorophenyl)butanoic acid (4619-18-5)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In dichloromethane; water; diethylene glycol;

Reference yield: 94.0%

but-3-enoic acid (625-38-7) + 4-Chlorophenylboronic acid (1679-18-1) → 4-(4-chlorophenyl)butanoic acid (4619-18-5)

Guidance literature:

With propan-1-ol; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; potassium tert-butylate; 4,4-dibenzyl-2-(pyridin-2-yl)-4,5-dihydrooxazole; at 60 ℃; regioselective reaction; Sealed tube;

DOI:10.1002/anie.202010840

upstream raw materials:

4-butanolide

chlorobenzene

6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone

4-(4-chlorophenyl)-4-oxobutanoic acid

Downstream raw materials:

γ-(4-chlorophenyl)-γ-butyrolactone

4-(4-chlorophenyl)butanoyl chloride

8-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-1-one

2,2,7-trichloro-1-tetralone

Refernces

• 1、 Inuzuka, Toshiyasu,Iwama, Haruka,Ogawa, Daichi,Sengoku, Tetsuya,Yoda, Hidemi. "A heavy-metal-free desulfonylative Giese-type reaction of benzothiazole sulfones under visible-light conditions". supporting information. p. 9858 - 9861. Retrieved 2021/10/12.
• 2、 -. "BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER". Paragraph 0130; 0131. . Retrieved 2019/09/18.