3-Bromo-2,2-dimethylpropanoyl chloride

Base Information

• Chemical Name: 3-Bromo-2,2-dimethylpropanoyl chloride
• CAS No.: 2941-17-5
• Molecular Formula: C₅H₈BrClO
• Molecular Weight: 199.475
• NSC Number: 115938
• DSSTox Substance ID: DTXSID10297429
• Wikidata: Q82038518
• Mol file: 2941-17-5.mol

Synonyms:3-bromo-2,2-dimethylpropanoyl chloride;2941-17-5;NSC115938;SCHEMBL3714708;DTXSID10297429;NSC-115938

Chemical Property of 3-Bromo-2,2-dimethylpropanoyl chloride

Chemical Property:

• Vapor Pressure: 0.823mmHg at 25°C
• Boiling Point: 182.1°Cat760mmHg
• Flash Point: 63.9°C
• Density: 1.501g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.94471
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CBr)C(=O)Cl

Technology Process of 3-Bromo-2,2-dimethylpropanoyl chloride

There total 2 articles about 3-Bromo-2,2-dimethylpropanoyl chloride 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:

3-bromo-2,2-dimethylpropionic acid (2843-17-6) → 3-bromo-2,2-dimethylpropanoic acid chloride (2941-17-5)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ol0618858

Reference yield:

3-Hydroxy-2,2-dimethylpropanoic acid (4835-90-9) → 3-bromo-2,2-dimethylpropanoic acid chloride (2941-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrobromic acid

2: thionyl chloride

With thionyl chloride; hydrogen bromide;

Reference yield: 32.0%

3-bromo-2,2-dimethylpropanoic acid chloride (2941-17-5) + 6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone (36725-28-7) → 3-bromo-2,2-dimethyl-N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenyl]-propionamide (69635-70-7)

Guidance literature:

In toluene; for 6h; Heating;

DOI:10.1021/jm00360a004

upstream raw materials:

3-bromo-2,2-dimethylpropionic acid

3-Hydroxy-2,2-dimethylpropanoic acid

Downstream raw materials:

C₁₃H₁₅BrCl₂N₂O₃

3-bromo-2,2-dimethyl-N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenyl]-propionamide

2,3-diphenylbutane

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