3-Benzoylbenzoyl chloride

Base Information

• Chemical Name: 3-Benzoylbenzoyl chloride
• CAS No.: 77301-47-4
• Molecular Formula: C14H9 Cl O2
• Molecular Weight: 244.677
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40510138
• Nikkaji Number: J2.250.539D
• Mol file: 77301-47-4.mol

Synonyms:3-benzoylbenzoyl chloride;77301-47-4;3-BENZOYLBENZOYLCHLORIDE;3-BENZOYL BENZOYL CHLORIDE;Benzoyl chloride, 3-benzoyl-;SCHEMBL3866038;Benzoylwasserstoff Benzoylchlorid;DTXSID40510138;RBBMPXMOUHLZIO-UHFFFAOYSA-N;A934884

Chemical Property of 3-Benzoylbenzoyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 3.29660
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 244.0291072
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

98%Min ^*data from raw suppliers

BENZOYLCHLORIDE,3-BENZOYL- 95 ^*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)C2=CC(=CC=C2)C(=O)Cl

Technology Process of 3-Benzoylbenzoyl chloride

There total 5 articles about 3-Benzoylbenzoyl 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: 43.0%

3-benzoylbenzoic acid (579-18-0) → 3-benzoylbenzoyl chloride (77301-47-4)

Guidance literature:

With thionyl chloride; Heating;

DOI:10.1021/jo00216a018

Reference yield:

1-Heptyne (628-71-7) + benzoyl chloride (98-88-4) → 1-phenyloct-2-yn-1-one (27259-10-5) + 3-benzoylbenzoyl chloride (77301-47-4)

Guidance literature:

With triethylamine; In neat (no solvent); at 20 ℃; for 24h;

DOI:10.1007/s10562-020-03235-7

Reference yield:

benzoyl chloride (98-88-4) + meparfynol (77-75-8) → 4-hydroxy-4-methyl-1-phenylhex-2-yn-1-one + 3-benzoylbenzoyl chloride (77301-47-4)

Guidance literature:

With triethylamine; In neat (no solvent); at 20 ℃; for 24h;

DOI:10.1007/s10562-020-03235-7

upstream raw materials:

3-benzoylbenzoic acid

3-methyl benzophenone

oxalyl dichloride

1-Heptyne

Downstream raw materials:

(3-benzoylphenyl)(3-methylphenyl)methanone

2-acetylphenyl 3-benzoylbenzoate

3-benzoyl-N-methoxy-N-methylbenzamide

N₁-[4-(4-Amino-1H-imidazo[4,5-c]quinolin-1-yl)butyl]-3-benzoylbenzamide

Refernces

• 1、 Juhász, Kinga,Hell, Zoltán. "Palladium(II) on 4 ? Molecular Sieves: A Simple and Reusable Catalyst for the Preparation of Ynones". . p. 3335 - 3341. Retrieved 2020/05/13.
• 2、 -. "Aza-and polyaza-naphthalenly ketones useful as hiv integrase inhibitors". Page/Page column 42-43. . Retrieved 2010/02/10.