Methyl 5-bromo-2-formylbenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-formylbenzoate
• CAS No.: 1016163-89-5
• Molecular Formula: C9H7BrO3
• Molecular Weight: 243.057
• Hs Code.: 2918300090
• European Community (EC) Number: 814-635-3
• DSSTox Substance ID: DTXSID40697534
• Nikkaji Number: J3.103.005F
• Wikidata: Q82627454
• Mol file: 1016163-89-5.mol

Synonyms:METHYL 5-BROMO-2-FORMYLBENZOATE;1016163-89-5;MFCD16036575;Methyl5-bromo-2-formylbenzoate;SCHEMBL15009851;DTXSID40697534;ZYGJVCDDZZSSEE-UHFFFAOYSA-N;AKOS016008260;Methyl 5-bromo-2-formylbenzoate, 98%;AS-41345;SY234186;2-Formyl-5-bromobenzoic acid methyl ester;CS-0103320;FT-0717403;Methyl 5-bromo-2-formylbenzoate, AldrichCPR;Benzoic acid, 5-bromo-2-formyl-, methyl ester;A850183

Chemical Property of Methyl 5-bromo-2-formylbenzoate

Chemical Property:

• Boiling Point: 337.2±32.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 2.04820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.95786
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

99.3% ^*data from raw suppliers

methyl5-bromo-2-formylbenzoate 95%-98% ^*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)C=O
• Uses: Methyl 5-bromo-2-formylbenzoate

Technology Process of Methyl 5-bromo-2-formylbenzoate

There total 10 articles about Methyl 5-bromo-2-formylbenzoate 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: 99.0%

methyl 2-bromomethyl-5-bromobenzoate (79670-17-0) → methyl 5-bromo-2- formylbenzoate (1016163-89-5)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 75 ℃; for 2h;

DOI:10.1021/jo702002y

Reference yield: 94.0%

methyl 5-bromo-2-(dibromomethyl)-benzoate (1265286-99-4) → methyl 5-bromo-2- formylbenzoate (1016163-89-5)

Guidance literature:

With water; silver nitrate; In isopropyl alcohol; at 20 ℃; Darkness;

Reference yield: 75.0%

methyl 2-methyl-5-bromobenzoate (79669-50-4) → methyl 5-bromo-2- formylbenzoate (1016163-89-5)

Guidance literature:

With dipotassium peroxodisulfate; cobalt(II) diacetate tetrahydrate; trifluoroacetic acid; trifluoroacetic anhydride; at 80 ℃; chemoselective reaction;

DOI:10.1039/c9ra03346g

upstream raw materials:

methyl 2-bromomethyl-5-bromobenzoate

5-bromo-ortho-formylbenzoic acid

dimethyl sulfate

ortho-methylbenzoic acid

Downstream raw materials:

methyl 2-formyl-5-o-octylbenzoate

Refernces

• 1、 -. "Preparation method and application of water-soluble supramolecular organic cage compound for detecting pyridine salt substances in water". Paragraph 0064; 0071-0072; 0075. . Retrieved 2021/10/27.
• 2、 -. "NOVEL PIPERIDINE-2,6-DIONE DERIVATIVE AND USE THEREOF". Paragraph 0292; 0297-0298. . Retrieved 2020/03/09.