Methyl 3-bromo-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-bromo-2-hydroxybenzoate
• CAS No.: 28165-45-9
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID90706842
• Wikidata: Q82640391
• Mol file: 28165-45-9.mol

Synonyms:Methyl 3-bromo-2-hydroxybenzoate;28165-45-9;Methyl3-bromo-2-hydroxybenzoate;MFCD10566798;SCHEMBL8852644;DTXSID90706842;WZHOTUVSKJWGMS-UHFFFAOYSA-N;AKOS022171758;CS-W022823;DS-2991;SY026381;A876772

Chemical Property of Methyl 3-bromo-2-hydroxybenzoate

Chemical Property:

• Melting Point: 277-278 °C
• Boiling Point: 238.8±20.0 °C(Predicted)
• PKA: 8.22±0.10(Predicted)
• PSA: 46.53000
• Density: 1.627±0.06 g/cm3(Predicted)
• LogP: 1.94130
• 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:

97% ^*data from raw suppliers

Methyl3-bromo-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-bromo-2-hydroxybenzoate

There total 6 articles about Methyl 3-bromo-2-hydroxybenzoate 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: 100.0%

methanol (67-56-1) + 3-bromo-2-hydroxy-thiobenzoic acid S-methyl ester (854914-90-2) → methyl 3-bromo-2-hydroxybenzoate (28165-45-9)

Guidance literature:

With lithium hydroxide; at 20 ℃; for 6h;

DOI:10.1039/b316802f

Reference yield: 72.0%

methyl salicylate (119-36-8,8024-54-2) → 5-bromo-2-hydroxy-benzoic acid methyl ester (4068-76-2) + methyl 3-bromo-2-hydroxybenzoate (28165-45-9)

Guidance literature:

methyl salicylate; With toluene-4-sulfonic acid; In water; acetonitrile; at 20 ℃; for 0.0833333h;

With N-Bromosuccinimide; In water; acetonitrile; at 20 ℃; for 16h; regioselective reaction;

DOI:10.1016/j.tet.2010.06.041

Reference yield:

2-hydroxybromobenzene (95-56-7) → methyl 3-bromo-2-hydroxybenzoate (28165-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: BCl₃; AlCl₃ / 1,2-dichloro-ethane / 4 h / 20 °C

1.2: 53 percent / aq. HCl / 1,2-dichloro-ethane / 0.17 h / 20 °C

2.1: 100 percent / aq. LiOH / 6 h / 20 °C

With lithium hydroxide; aluminium trichloride; boron trichloride; In 1,2-dichloro-ethane;

DOI:10.1039/b316802f

upstream raw materials:

methanol

3-bromosalicylic acid

methyl iodide

3-bromo-2-hydroxy-thiobenzoic acid S-methyl ester

Downstream raw materials:

3-bromo-2-hydroxybenzamide

C₁₇H₁₄O₆Br₂

3,3'-dibromo-5,5'-dicarboxy-4,4'-dihydroxydiphenylmethane

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 28165-45-9 METHYL 3-BROMO-2-HYDROXYBENZOATE

Send

Send

Metric Ton KG G Pound L ML

Send

Send