2-(2,4-Dibromophenoxy)propanoic acid

Base Information

• Chemical Name: 2-(2,4-Dibromophenoxy)propanoic acid
• CAS No.: 6965-70-4
• Molecular Formula: C9H8 Br2 O3
• Molecular Weight: 323.966
• Hs Code.: 2918990090
• European Community (EC) Number: 654-711-1
• NSC Number: 63349
• DSSTox Substance ID: DTXSID10289748
• Mol file: 6965-70-4.mol

Synonyms:2-(2,4-dibromophenoxy)propanoic acid;6965-70-4;Propanoic acid, 2-(2,4-dibromophenoxy)-;NSC63349;SCHEMBL7826588;DTXSID10289748;2-(2,4-dibromophenoxy)propanoicacid;BBL037516;MFCD00020404;NSC 63349;NSC-63349;STK502365;AKOS000129294;AKOS017258696;VS-14226;CS-0204539;E78599

Chemical Property of 2-(2,4-Dibromophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Melting Point: 139oC
• Boiling Point: 382.2°Cat760mmHg
• Flash Point: 185°C
• PSA: 46.53000
• Density: 1.863g/cm³
• LogP: 3.06350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 323.88197
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,4-Dibromophenoxy)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)Br)Br

Technology Process of 2-(2,4-Dibromophenoxy)propanoic acid

There total 2 articles about 2-(2,4-Dibromophenoxy)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:

Ethyl 2-bromopropionate (535-11-5,41978-69-2) → 2-(2,4-dibromophenoxy)propanoic acid (6965-70-4)

Guidance literature:

With ethanol; anschliessend Erwaermen mit wss. Natronlauge;

Reference yield:

→ 2-(2,4-dibromophenoxy)propanoic acid (6965-70-4)

Guidance literature:

(1) 2-(Benzolsulfonyloxy)-propionsaeurenitril, 2,4-Dibrom-phenol;

Reference yield:

C2F3O2(1-)*C4H10NO2S(1+) + 2-(2,4-dibromophenoxy)propanoic acid (6965-70-4) → C13H15Br2NO4S

Guidance literature:

With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23 ℃; for 5h;

DOI:10.1016/j.bmcl.2018.11.019

upstream raw materials:

Ethyl 2-bromopropionate

Downstream raw materials:

6β-[(Ξ)-2-(2,4-dibromo-phenoxy)-propionylamino]-penicillanic acid