2-(3-Bromophenoxy)acetic acid

Base Information

• Chemical Name: 2-(3-Bromophenoxy)acetic acid
• CAS No.: 1798-99-8
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918990090
• European Community (EC) Number: 696-386-9
• DSSTox Substance ID: DTXSID40351523
• Nikkaji Number: J137.005G
• Wikidata: Q82127999
• Mol file: 1798-99-8.mol

Synonyms:2-(3-bromophenoxy)acetic acid;1798-99-8;(3-bromophenoxy)acetic acid;3-Bromophenoxyacetic acid;(3-Bromo-phenoxy)-acetic acid;Acetic acid, (3-bromophenoxy)-;MFCD02081885;Enamine_002016;2-(3-bromophenoxy)aceticacid;F3110-2250;SCHEMBL1958001;[(3-bromophenyl)oxy]acetic acid;CRKQPDCSWOJBJY-UHFFFAOYSA-;DTXSID40351523;CRKQPDCSWOJBJY-UHFFFAOYSA-N;HMS1399L14;Acetic acid, 2-(3-bromophenoxy)-;BBL017173;STK441872;(3-BROMO-PHENOXY)-ACETICACID;AKOS000114506;AS-55189;SY122974;(3-bromo-phenoxy)-acetic acid, AldrichCPR;CS-0102086;EN300-00015;Y10997;A881217;AG-205/06752035;Z56812737;InChI=1/C8H7BrO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Chemical Property of 2-(3-Bromophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 7.63E-05mmHg at 25°C
• Boiling Point: 328.5 °C at 760 mmHg
• PKA: pK1: 3.09 (25°C)
• Flash Point: 152.4 °C
• PSA: 46.53000
• Density: 1.641 g/cm³
• LogP: 1.91250
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromophenoxyaceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)OCC(=O)O

Technology Process of 2-(3-Bromophenoxy)acetic acid

There total 8 articles about 2-(3-Bromophenoxy)acetic 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: 98.0%

methyl 3-Bromophenoxyacetate (111758-64-6) → 3-bromophenoxyacetic acid (1798-99-8)

Guidance literature:

With hydrogenchloride; lithium hydroxide monohydrate; In tetrahydrofuran-water;

Reference yield: 70.0%

3-Bromophenol (591-20-8) + chloroacetic acid (79-11-8) → 3-bromophenoxyacetic acid (1798-99-8)

Guidance literature:

With sodium hydroxide; In water; for 2h; Reflux;

DOI:10.1002/jhet.221

Reference yield: 65.0%

3-Bromophenol (591-20-8) + bromoacetic acid (79-08-3) → 3-bromophenoxyacetic acid (1798-99-8)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Reflux;

upstream raw materials:

3-Bromophenol

chloroacetic acid

methyl 3-Bromophenoxyacetate

ethyl 3-bromophenyloxyacetate

Downstream raw materials:

1-bromo-3-(fluoromethoxy)benzene

tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-(cyclopropylamino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate

tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-((1-(tert-butoxycarbonyl)piperidin-4-yl)amino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate

tert-butyl 5-((tert-butoxycarbonyl)(2-(3-(2-((1-(tert-butoxycarbonyl)piperidin-4-yl)amino)-2-oxoethoxy)phenyl)-5-methylpyrimidin-4-yl)amino)-1H-indazole-1-carboxylate

Refernces

• 1、 Richter, Jeremy M.,Cheney, Daniel L.,Bates, J. Alex,Wei, Anzhi,Luettgen, Joseph M.,Rendina, Alan R.,Harper, Timothy M.,Narayanan, Rangaraj,Wong, Pancras C.,Seiffert, Dietmar,Wexler, Ruth R.,Priestley, E. Scott. "Design and synthesis of novel meta-linked phenylglycine macrocyclic FVIIa inhibitors". supporting information. p. 67 - 72. Retrieved 2017/12/12.
• 2、 Leung, Joe C. T.,Sammis, Glenn M.. "Radical decarboxylative fluorination of aryloxyacetic acids using N-fluorobenzenesulfonimide and a photosensitizer". supporting information. p. 2197 - 2204. Retrieved 2015/04/14.