3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic acid

Base Information

• Chemical Name: 3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic acid
• CAS No.: 62903-24-6
• Molecular Formula: C₁₁H₁₀BrClO₃
• Molecular Weight: 305.556
• DSSTox Substance ID: DTXSID601225174

Synonyms:62903-24-6;3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic acid;SCHEMBL11742024;DTXSID601225174

Chemical Property of 3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 303.95018
• Heavy Atom Count: 16
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Br)C(=O)CCC(=O)O)Cl

Technology Process of 3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic acid

There total 1 articles about 3-Bromo-5-chloro-4-methyl-gamma-oxobenzenebutanoic 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:

4-(3-chloro-4-methylphenyl)-4-oxobutanoic acid (62903-06-4) → 4-(3-bromo-5-chloro-4-methylphenyl)-4-oxobutyric acid (62903-24-6)

Guidance literature:

With hydrogenchloride; bromine; aluminium trichloride; In 1,1-dichloroethane; toluene;

Reference yield:

4-(3-bromo-5-chloro-4-methylphenyl)-4-oxobutyric acid (62903-24-6) → 6-(3-bromo-5-chloro-4-methyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one (62938-74-3)

Guidance literature:

With hydrazine hydrate; In ethanol;

upstream raw materials:

4-(3-chloro-4-methylphenyl)-4-oxobutanoic acid

Downstream raw materials:

6-(3-bromo-5-chloro-4-methyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one

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