3-(3-Bromophenoxy)propanoic acid

Base Information

• Chemical Name: 3-(3-Bromophenoxy)propanoic acid
• CAS No.: 18386-03-3
• Molecular Formula: C9H9 Br O3
• Molecular Weight: 245.073
• Hs Code.: 2918990090
• European Community (EC) Number: 872-702-2
• DSSTox Substance ID: DTXSID30393856
• Wikidata: Q82192863
• Mol file: 18386-03-3.mol

Synonyms:3-(3-bromophenoxy)propanoic acid;18386-03-3;3-(3-Bromo-phenoxy)-propionic acid;Enamine_004956;HMS1408B06;SCHEMBL3095787;3-(3-bromophenoxy)propanoicacid;DTXSID30393856;XXAKGQROEOIMKK-UHFFFAOYSA-N;3-(3-Bromophenoxy)propionic Acid;MFCD00774355;AKOS000263933;IDI1_007543;AS-47374;3-(3-BROMO-PHENOXY)-PROPIONICACID;CS-0213194;FT-0712283;EN300-05169;F13496;Z56893184

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

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Boiling Point: 321.4°Cat760mmHg
• Flash Point: 148.2°C
• PSA: 46.53000
• Density: 1.558g/cm³
• LogP: 2.30260
• 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: 172

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Bromophenoxy)propanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about 3-(3-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: 93.0%

3-(3-bromophenoxy)propanenitrile (1016736-70-1) → 3-(3-bromophenoxy)propionic acid (18386-03-3)

Guidance literature:

With hydrogenchloride; formic acid; water; for 24h; Heating;

DOI:10.1071/CH10295

Reference yield: 85.0%

chloropropionic acid (107-94-8) + 3-Bromophenol (591-20-8) → 3-(3-bromophenoxy)propionic acid (18386-03-3)

Guidance literature:

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

Reference yield:

3-(3-bromophenoxy)propan-1-ol (92584-63-9) → 3-(3-bromophenoxy)propionic acid (18386-03-3)

Guidance literature:

3-(3-bromophenoxy)propan-1-ol; With sulfuric acid; In water; acetone; at 0 ℃;

With chromium(VI) oxide; at 0 ℃; for 5h;

upstream raw materials:

3-Bromopropionic acid

3-Bromophenol

3-(3-bromophenoxy)propanenitrile

β-Propiolactone

Downstream raw materials:

7-bromo-4H-benzopyran-4-one

5-bromochromone

7-Bromo-2,3-dihydro-4H-chromen-4-one

5-bromo-4-chromanone