2-(4-Bromo-2-formylphenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-Bromo-2-formylphenoxy)acetic acid
• CAS No.: 24589-89-7
• Molecular Formula: C9H7BrO4
• Molecular Weight: 259.056
• Hs Code.: 2918990090
• UNII: N6SU7T9RR6
• DSSTox Substance ID: DTXSID80359528
• Wikidata: Q82140777
• ChEMBL ID: CHEMBL385009
• Mol file: 24589-89-7.mol

Synonyms:2-(4-bromo-2-formylphenoxy)acetic acid;24589-89-7;(4-bromo-2-formylphenoxy)acetic acid;CHEMBL385009;Acetic acid, 2-(4-bromo-2-formylphenoxy)-;N6SU7T9RR6;Oprea1_723931;SCHEMBL2879909;DTXSID80359528;KXRYNWDCFUKVNN-UHFFFAOYSA-N;ZAA58989;2-formyl-4-bromophenoxy acetic acid;4-bromo-2-formylphenoxy acetic acid;BBL023190;BDBM50200251;MFCD02257408;STK201324;AKOS000113320;2-(4-bromo-2-formylphenoxy)aceticacid;AC-0818;PD179887;(4-BROMO-2-FORMYLPHENOXY)ACETICACID;BB 0217679;CS-0116530;FT-0679359;EN300-41116;C74265;2-(4-Bromanyl-2-methanoyl-phenoxy)ethanoic acid;(4-bromo-2-formylphenoxy)acetic acid, AldrichCPR;J-505906;Z57313879

Chemical Property of 2-(4-Bromo-2-formylphenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 1.4E-07mmHg at 25°C
• Refractive Index: 1.62
• Boiling Point: 413.6 °C at 760 mmHg
• PKA: 2.96±0.10(Predicted)
• Flash Point: 203.9 °C
• PSA: 63.60000
• Density: 1.699 g/cm³
• LogP: 1.72500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 257.95277
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99%, ^*data from raw suppliers

2-(4-Bromo-2-formylphenoxy)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)C=O)OCC(=O)O

Technology Process of 2-(4-Bromo-2-formylphenoxy)acetic acid

There total 9 articles about 2-(4-Bromo-2-formylphenoxy)acetic 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: 94.0%

2-formyl-4-bromophenoxyacetic acid ethyl ester (51336-47-1) → 2-(4-bromo-2-formylphenoxy)acetic acid (24589-89-7)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 24h;

Reference yield: 75.0%

chloroacetic acid (79-11-8) + 5-bromosalicyclaldehyde (1761-61-1) → 2-(4-bromo-2-formylphenoxy)acetic acid (24589-89-7)

Guidance literature:

With sodium hydroxide; In water;

Reference yield: 55.0%

bromoacetic acid (79-08-3) + 5-bromosalicyclaldehyde (1761-61-1) → 2-(4-bromo-2-formylphenoxy)acetic acid (24589-89-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water;

upstream raw materials:

2-Formylphenoxyacetic acid

methyl (4-bromo-2-formylphenoxy)acetate

2-formyl-4-bromophenoxyacetic acid ethyl ester

chloroacetic acid

Downstream raw materials:

C₃₀H₃₅BrN₄O₈

C₂₇H₂₆BrN₅O₆

C₁₄H₁₅BrN₂O₆

C₁₆H₂₀BrNO₅

Refernces

• 1、 Nazreen, Syed,Alam, Mohammad Sarwar,Hamid, Hinna,Yar, Mohammad Shahar,Dhulap, Abhijeet,Alam, Perwez,Pasha, Mohammad Abdul Qadar,Bano, Sameena,Alam, Mohammad Mahboob,Haider, Saqlain,Kharbanda, Chetna,Ali, Yakub,Pillai, Kolakappi. "Design, synthesis, and biological evaluation of thiazolidine-2,4-dione conjugates as PPAR-γ agonists". . p. 421 - 432. Retrieved 2015/06/08.
• 2、 -. "AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES". Page 51. . Retrieved 2008/06/13.