3-(4-Bromophenoxy)propanoic acid

Base Information

• Chemical Name: 3-(4-Bromophenoxy)propanoic acid
• CAS No.: 93670-18-9
• Molecular Formula: C9H9BrO3
• Molecular Weight: 245.073
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50428679
• Wikidata: Q82241495
• Mol file: 93670-18-9.mol

Synonyms:3-(4-bromophenoxy)propanoic acid;93670-18-9;3-(4-bromophenoxy)propanoicacid;MFCD02295727;AN-829/13156514;SCHEMBL1822418;DTXSID50428679;IGFOICGMVYKSCD-UHFFFAOYSA-N;AKOS000131718;NCGC00336795-01;AM804579;AS-61073;SY123396;CS-0157428;FT-0750267;EN300-36302;AB01330730-02;A916599;Z240085156

Chemical Property of 3-(4-Bromophenoxy)propanoic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.30260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

98% ^*data from raw suppliers

3-(4-BROMOPHENOXY)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCC(=O)O)Br

Technology Process of 3-(4-Bromophenoxy)propanoic acid

There total 9 articles about 3-(4-Bromophenoxy)propanoic 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%

3-phenoxypropanoic acid (7170-38-9) → 3-(4-bromophenyloxy)-propionic acid (93670-18-9)

Guidance literature:

With N-Bromosuccinimide; sodium hydroxide; In water; at 20 ℃; for 1h;

Reference yield: 95.0%

3-(4-bromophenoxy)propionitrile (118449-57-3) → 3-(4-bromophenyloxy)-propionic acid (93670-18-9)

Guidance literature:

With hydrogenchloride; In water; at 80 - 90 ℃;

DOI:10.1016/j.tetlet.2021.153372

Reference yield: 78.0%

3-Bromopropionic acid (590-92-1) + 4-bromo-phenol (106-41-2) → 3-(4-bromophenyloxy)-propionic acid (93670-18-9)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 2h; Reflux;

upstream raw materials:

β-Propiolactone

4-bromo-phenol

3-(4-bromophenoxy)propionitrile

chloropropionic acid

Downstream raw materials:

6-bromo-1-benzopyran-4(4H)-one

6-bromo-chroman

2-[2-(6-bromochroman-4-ylidene)hydrazinyl]-5-phenylthiazole

3-(4-Bromophenoxy)-1-propanol

Refernces

• 1、 -. "Anthracene derivatives compounds and organic electroluminescent devices comprising the same". Paragraph 0279; 0283; 0391-0396. . Retrieved 2020/07/28.
• 2、 -. "PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF". Paragraph 0401; 0925-0927. . Retrieved 2020/01/08.