4-(4-Bromophenoxy)benzoic acid

Base Information

• Chemical Name: 4-(4-Bromophenoxy)benzoic acid
• CAS No.: 21120-68-3
• Molecular Formula: C13H9 Br O3
• Molecular Weight: 293.117
• Hs Code.: 2918990090
• European Community (EC) Number: 626-321-1
• DSSTox Substance ID: DTXSID90400833
• Wikidata: Q82203868
• Mol file: 21120-68-3.mol

Synonyms:4-(4-Bromophenoxy)benzoic acid;21120-68-3;Oprea1_800400;4-(4-Bromophenoxy)benzoicacid;SCHEMBL9819228;DTXSID90400833;Benzoic acid, 4-(4-bromophenoxy)-;MFCD01244945;4-(4-Bromophenoxy)benzoic acid 97;AKOS000264561;AT26593;4-(4-Bromophenoxy)benzoic acid, 97%;AC-18584;BS-22067;CS-0204357;EN300-7368465;J-013859;Z335442132

Chemical Property of 4-(4-Bromophenoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 2.36E-07mmHg at 25°C
• Melting Point: 187-190 °C
• Refractive Index: 1.631
• Boiling Point: 407°C at 760 mmHg
• PKA: 4.27±0.10(Predicted)
• Flash Point: 199.9°C
• PSA: 46.53000
• Density: 1.553g/cm³
• LogP: 3.93960
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.97351
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

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

4-(4-Bromophenoxy)benzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-36-43-50/53
• Safety Statements: 26-36/37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromophenoxy)benzoic acid

There total 10 articles about 4-(4-Bromophenoxy)benzoic 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:

carbon monoxide (201230-82-2) + 4,4'-dibromodiphenyl ether (2050-47-7) → oxybis(benzoic acid) (2215-89-6) + 4-(4-bromophenoxy)benzoic acid (21120-68-3)

Guidance literature:

With dicobalt octacarbonyl; potassium carbonate; methyloxirane; In methanol; at 60 ℃; for 4h; under 760 Torr; Title compound not separated from byproducts;

DOI:10.1007/s11167-005-0619-y

Reference yield:

n-butyllithium (109-72-8,29786-93-4) + diethyl ether (60-29-7,927820-24-4) + 4,4'-dibromodiphenyl ether (2050-47-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → oxybis(benzoic acid) (2215-89-6) + 4-(4-bromophenoxy)benzoic acid (21120-68-3)

Guidance literature:

anschliessendes Behandeln mit festem CO₂;

DOI:10.1021/ja01866a020

Reference yield:

C15H13BrO3 → 4-(4-bromophenoxy)benzoic acid (21120-68-3)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 0.5h;

DOI:10.1111/cbdd.12484

upstream raw materials:

n-butyllithium

diethyl ether

4,4'-dibromodiphenyl ether

benzene

Downstream raw materials:

N-(1,1-dioxothian-3-yl)-4-[4-[2-[(5S)-5-hydroxy-1-azabicyclo[2.2.2]oct-5-yl]ethynyl]phenoxy]benzamide

C₂₂H₂₅NO₄

C₂₃H₂₃NO₄

C₂₂H₂₃NO₄