5-Bromo-2-methoxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-methoxybenzoic acid
• CAS No.: 2476-35-9
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918990090
• European Community (EC) Number: 626-883-8
• DSSTox Substance ID: DTXSID40358219
• Nikkaji Number: J2.176.052H
• Wikidata: Q72446080
• ChEMBL ID: CHEMBL2134682
• Mol file: 2476-35-9.mol

Synonyms:o-Anisicacid, 5-bromo- (6CI,7CI,8CI);2-Methoxy-5-bromobenzoic acid;5-Bromo-o-anisic acid;

Chemical Property of 5-Bromo-2-methoxybenzoic acid

Chemical Property:

• Appearance/Colour: WHITE TO TAN SOLID, POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 4.97E-05mmHg at 25°C
• Melting Point: 118-122 °C
• Boiling Point: 334.7 °C at 760 mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 156.2 °C
• PSA: 46.53000
• Density: 1.625 g/cm³
• LogP: 2.15590
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-2-methoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)Br)C(=O)O

Technology Process of 5-Bromo-2-methoxybenzoic acid

There total 41 articles about 5-Bromo-2-methoxybenzoic 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%

2-Methoxybenzoic acid (579-75-9) → 5-bromo-2-methoxybenzoic acid (2476-35-9)

Guidance literature:

With sodium hydroxide; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; Ambient temperature;

DOI:10.1016/S0040-4039(00)77457-0

Reference yield: 82.0%

5-bromosalicyclic acid (89-55-4) + methyl iodide (74-88-4) → 5-bromo-2-methoxybenzoic acid (2476-35-9)

Guidance literature:

With potassium carbonate; at 20 - 80 ℃;

Reference yield: 72.0%

2-Methoxybenzoic acid (579-75-9) → 2,4-dibromoanisole (21702-84-1) + 5-bromo-2-methoxybenzoic acid (2476-35-9)

Guidance literature:

With potassium phosphate; bromine; In acetonitrile; at 100 ℃; for 4h;

DOI:10.1039/c8sc01016a

upstream raw materials:

n-butyllithium

1-bromo-4-methoxy-benzene

diethyl ether

methyllithium

Downstream raw materials:

C₁₈H₂₆N₂O₇

4-bromo-phenol

2-hydroxybromobenzene

2-methoxy-5-phenylbenzoic acid

Refernces

• 1、 Wu, Yong-Qi,Lu, Hai-Jia,Zhao, Wen-Ting,Zhao, Hong-Yi,Lin, Zi-Yun,Zhang, Dong-Feng,Huang, Hai-Hong. "A convenient and efficient H2SO4-promoted regioselective monobromination of phenol derivatives using N-bromosuccinimide". supporting information. p. 813 - 822. Retrieved 2020/02/15.
• 2、 -. "COMPOUNDS AND METHODS OF INHIBITING BACTERIAL CHAPERONIN SYSTEMS". Paragraph 0210; 0211. . Retrieved 2020/05/28.