Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-

Base Information

• Chemical Name: Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-
• CAS No.: 139681-39-3
• Molecular Formula: C12H13ClO2
• Molecular Weight: 224.687
• DSSTox Substance ID: DTXSID40473158
• Wikidata: Q82302350
• Mol file: 139681-39-3.mol

Synonyms:Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-;139681-39-3;p-pivaloylbenzoyl chloride;p-pivaloyl benzoyl chloride;p-pivaloyl-benzoyl chloride;SCHEMBL9177579;DTXSID40473158;XQIWRUXPIFGECB-UHFFFAOYSA-N;4- (2,2-dimethyl-1-oxopropyl)-benzoyl chloride;4-(2,2-dimethyl-1-oxopropyl) benzoyl chloride;4-(2,2-dimethyl-1-oxopropyl)-benzoyl chloride

Chemical Property of Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-

Chemical Property:

• PSA: 34.14000
• LogP: 3.29440
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.0604073
• Heavy Atom Count: 15
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C1=CC=C(C=C1)C(=O)Cl

Technology Process of Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-

There total 2 articles about Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)- 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%

4-pivaloyl-benzoic acid (32018-31-8) → 4-(2,2-dimethyl-1-oxopropyl)-benzoyl chloride (139681-39-3)

Guidance literature:

With thionyl chloride; for 1.5h; Heating;

DOI:10.1021/jm980438y

Reference yield:

2,2-dimethyl-1-(4-methylphenyl)-1-propanone (30314-44-4) → 4-(2,2-dimethyl-1-oxopropyl)-benzoyl chloride (139681-39-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 56 percent / aq. KMnO₄ / 4 h / Heating

2: 99 percent / SOCl₂ / 1.5 h / Heating

With potassium permanganate; thionyl chloride;

DOI:10.1021/jm980438y

Reference yield: 98.0%

2,2-dimethyl-5,5-bis(hydroxymethyl)-1,3-dioxane (770-74-1) + 4-(2,2-dimethyl-1-oxopropyl)-benzoyl chloride (139681-39-3) → C32H40O8

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1021/jm000264w

upstream raw materials:

4-pivaloyl-benzoic acid

2,2-dimethyl-1-(4-methylphenyl)-1-propanone

Downstream raw materials:

4-(2,2-dimethyl-1-oxopropyl)-N-(2-propenyloxy)benzamide

4-(2,2-dimethyl-propionyl)-N-(2-hydroxy-ethyl)-benzamide

4-(2,2-dimethyl-1-oxopropyl)-benzamide

4-(2,2-dimethyl-1-oxopropyl)-N-hydroxybenzamide

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 139681-39-3 Benzoyl chloride, 4-(2,2-dimethyl-1-oxopropyl)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send