2-(2-Bromophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2-Bromophenoxy)propanoic acid
• CAS No.: 7414-41-7
• Molecular Formula: C₉H₉BrO₃
• Molecular Weight: 245.073
• DSSTox Substance ID: DTXSID20404546
• Nikkaji Number: J2.493.347D
• Mol file: 7414-41-7.mol

Synonyms:2-(2-bromophenoxy)propanoic acid;7414-41-7;2-(2-bromophenoxy)propanoicacid;DTXSID20404546;MFCD02295722;AKOS000125622;AKOS017258721;VS-05917;CS-0260690;2-(2-Bromophenoxy)propanoic acid, AldrichCPR;EN300-75615;F83376;Z228583522

Chemical Property of 2-(2-Bromophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 5.36E-05mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 333.6°C at 760 mmHg
• Flash Point: 155.6°C
• PSA: 46.53000
• Density: 1.554g/cm³
• LogP: 2.30100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 243.97351
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Bromophenoxy)propanoicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=CC=CC=C1Br

Technology Process of 2-(2-Bromophenoxy)propanoic acid

There total 2 articles about 2-(2-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:

2-hydroxybromobenzene (95-56-7) + (R,S)-2-chloropropionic acid (598-78-7) → 2-(2-bromophenoxy)propanoic acid (7414-41-7)

Guidance literature:

With sodium hydroxide; In water; for 20h; Heating;

DOI:10.1021/jo0706224

Reference yield:

2-hydroxybromobenzene (95-56-7) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2-(2-bromophenoxy)propanoic acid (7414-41-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Schlenk technique; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.0c00748

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-(2-bromophenoxy)propanoic acid (7414-41-7) → C15H12BrNO5

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.orglett.0c00748

upstream raw materials:

2-hydroxybromobenzene

(R,S)-2-chloropropionic acid

2-Bromopropionic acid

Downstream raw materials:

(R)-2-(2-bromophenoxy)propanoic acid

(S)-2-(2-bromophenoxy)propanoic acid

di(1-naphthyl)methyl (S)-2-(2-bromophenoxy)propanoate

Refernces

• 1、 Segurado, Manuel A. P.,Reis, Joao Carlos R.,De Oliveira, Jaime D. Gomes,Kabilan, Senthamaraikannan,Shanthi, Manohar. "Chlorination of 2-phenoxypropanoic acid with NCP in aqueous acetic acid: Using a novel ortho-para relationship and the para/meta ratio of substituent effects for mechanism elucidation". . p. 5327 - 5336. Retrieved 2008/02/07.