Acetic acid, (2-bromophenoxy)-

Base Information

• Chemical Name: Acetic acid, (2-bromophenoxy)-
• CAS No.: 1879-56-7
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 29189990
• Mol file: 1879-56-7.mol

Synonyms:Acetic acid, (2-bromophenoxy)-;2-(2-bromophenoxy)acetate

Chemical Property of Acetic acid, (2-bromophenoxy)-

Chemical Property:

• Appearance/Colour: white to light pink crystalline powder
• Vapor Pressure: 6.51E-05mmHg at 25°C
• Melting Point: 141-145 °C
• Refractive Index: 1.579
• Boiling Point: 330.8 °C at 760 mmHg
• PKA: pK1: 3.12 (25°C)
• Flash Point: 153.9 °C
• PSA: 46.53000
• Density: 1.641 g/cm³
• LogP: 1.91250
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.95003
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

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

o-Bromophenoxyaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC(=O)[O-])Br

Technology Process of Acetic acid, (2-bromophenoxy)-

There total 5 articles about Acetic acid, (2-bromophenoxy)- 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: 91.0%

ethyl 2-(2-bromophenoxy)acetate (90841-62-6) → 2-(2-bromophenoxy)acetic acid (1879-56-7)

Guidance literature:

With sodium hydroxide; In ethanol; Reflux;

DOI:10.1016/j.biopha.2017.08.105

Reference yield: 81.0%

2-hydroxybromobenzene (95-56-7) + chloroacetic acid (79-11-8) → 2-(2-bromophenoxy)acetic acid (1879-56-7)

Guidance literature:

2-hydroxybromobenzene; With sodium hydride; In toluene; at 0 - 20 ℃; for 4h;

chloroacetic acid; In toluene; at 110 ℃; for 12h;

DOI:10.1002/ejoc.201300389

Reference yield:

C8H6BrO3(1-)*Na(1+) → 2-(2-bromophenoxy)acetic acid (1879-56-7)

Guidance literature:

With hydrogenchloride; In water; pH=1;

DOI:10.1016/j.bmcl.2015.10.041

upstream raw materials:

ethyl 2-(2-bromophenoxy)acetate

2-hydroxybromobenzene

chloroacetic acid

water

Downstream raw materials:

2-(2-bromophenoxy)-N-(2-hydroxyethyl)acetamide

carbon dioxide

carbon monoxide

2-hydroxybromobenzene

Refernces

• 1、 Alnouti, Yazen,Aretz, Christopher D.,Chhonker, Yashpal S.,Dhuria, Nikilesh V.,Du, Yu,Gautam, Nagsen,Hopkins, Corey R.,Kumar, Sushil,Lesiak, Lauren,Sharma, Swagat,Weaver, C. David. "Discovery, synthesis and biological characterization of a series of: N -(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-1 H -pyrazol-5-yl)acetamide ethers as novel GIRK1/2 potassium channel activators". supporting information. p. 1366 - 1373. Retrieved 2021/09/28.
• 2、 Eissa Mohammed, Yasser Hussein,Thirusangu, Prabhu,Zabiulla,Vigneshwaran,B.T, Prabhakar,Khanum, Shaukath Ara. "The anti-invasive role of novel synthesized pyridazine hydrazide appended phenoxy acetic acid against neoplastic development targeting matrix metallo proteases". . p. 375 - 386. Retrieved 2017/09/02.