2-Bromo-4-formylphenyl benzoate

Base Information

• Chemical Name: 2-Bromo-4-formylphenyl benzoate
• CAS No.: 536974-75-1
• Molecular Formula: C14H9BrO3
• Molecular Weight: 305.128
• Hs Code.: 2916310090
• DSSTox Substance ID: DTXSID30406354
• Nikkaji Number: J2.464.129E
• Mol file: 536974-75-1.mol

Synonyms:2-BROMO-4-FORMYLPHENYL BENZOATE;536974-75-1;SCHEMBL4799290;DTXSID30406354;AKOS000290745

Chemical Property of 2-Bromo-4-formylphenyl benzoate

Chemical Property:

• PSA: 43.37000
• LogP: 3.48080
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 303.97351
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

2-BROMO-4-FORMYLPHENYL BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=O)Br

Technology Process of 2-Bromo-4-formylphenyl benzoate

There total 3 articles about 2-Bromo-4-formylphenyl benzoate 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: 89.0%

3-bromo-4-hydroxybenzylaldehyde (2973-78-6) + benzoyl chloride (98-88-4) → 3-bromo-4-benzoyloxybenzaldehyde (536974-75-1)

Guidance literature:

With triethylamine; In ethyl acetate; at 20 ℃; for 5h;

DOI:10.1021/jm061462b

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-bromo-4-benzoyloxybenzaldehyde (536974-75-1)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; AcOH

2: 89 percent / Et₃N / ethyl acetate / 5 h / 20 °C

With bromine; acetic acid; triethylamine; In ethyl acetate;

DOI:10.1021/jm061462b

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3-bromo-4-benzoyloxybenzaldehyde (536974-75-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / Br₂; AcOH / 25 °C

2: 87 percent / NEt₃ / ethyl acetate

With bromine; acetic acid; triethylamine; In ethyl acetate;

DOI:10.1021/jm034033b

upstream raw materials:

3-bromo-4-hydroxybenzylaldehyde

benzoyl chloride

4-hydroxy-benzaldehyde

Downstream raw materials:

benzoic acid 2-bromo-4-{[(4-cyanophenyl)[1,2,4]triazol-4-ylamino]methyl}phenyl ester

4-[(3-Bromo-4-hydroxybenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]triazole

4-benzoyloxy-3-bromobenzyl chloride

3-bromo-4-benzoyloxybenzyl alcohol

Refernces

• 1、 -. "Compound". Page/Page column 48; 49. . Retrieved 2008/06/13.