2-Benzoylbenzoyl chloride

Base Information

• Chemical Name: 2-Benzoylbenzoyl chloride
• CAS No.: 22103-85-1
• Molecular Formula: C14H9 Cl O2
• Molecular Weight: 244.677
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20451358
• Wikidata: Q82271340
• Mol file: 22103-85-1.mol

Synonyms:2-benzoylbenzoyl chloride;22103-85-1;2-benzoyl-benzoyl chloride;benzoylbenzoyl chloride;benzoyl benzoyl chloride;2-Benzoylbenzoesaurechlorid;SCHEMBL78316;DTXSID20451358;GJJVTLOHDLKVFS-UHFFFAOYSA-N;AKOS015901738;EN300-21273

Chemical Property of 2-Benzoylbenzoyl chloride

Chemical Property:

• PSA: 34.14000
• LogP: 3.29660
• XLogP3: 3.3
• 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:

99%min ^*data from raw suppliers

2-Benzoylbenzoylchloride 97% ^*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=C2C(=O)Cl

Technology Process of 2-Benzoylbenzoyl chloride

There total 7 articles about 2-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: 95.4%

3-chloro-3-phenylphthalide (18852-53-4) → 2-benzoylbenzoyl chloride (22103-85-1)

Guidance literature:

With hydrogenchloride; aminosulfonic acid; In water; at 90 ℃; for 2h; Temperature; Catalytic behavior;

Reference yield: 90.0%

2-Benzoylbenzoic acid (85-52-9) → 2-benzoylbenzoyl chloride (22103-85-1)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4039(01)81446-5

Reference yield:

phthalic anhydride (85-44-9) → 2-benzoylbenzoyl chloride (22103-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / 0 °C

2.1: triethylamine / tetrahydrofuran / 0.5 h / -10 °C

2.2: 1.5 h / -10 °C

With aluminum (III) chloride; triethylamine; In tetrahydrofuran;

DOI:10.1021/ol102957c

upstream raw materials:

2-Benzoylbenzoic acid

3-chloro-3-phenylphthalide

thionyl chloride

phosphorus pentachloride

Downstream raw materials:

methyl o-benzoylbenzoate

o-benzoylbenzamide

ethyl 2-benzoylbenzoate

(methoxy-4' phenyl)-3 phenyl-3 dihydro-1,3 isobenzofurannone-1

Refernces

• 1、 Zhang, Hefeng,Peng, Xia,Dai, Yang,Shao, Jingwei,Ji, Yinchun,Sun, Yiming,Liu, Bo,Cheng, Xu,Ai, Jing,Duan, Wenhu. "Discovery of a Pyrimidinedione Derivative as a Potent and Orally Bioavailable Axl Inhibitor". supporting information. p. 3956 - 3975. Retrieved 2021/04/12.
• 2、 Nozawa-Kumada, Kanako,Matsuzawa, Yuta,Ono, Kanako,Shigeno, Masanori,Kondo, Yoshinori. "Copper-catalyzed aerobic double functionalization of benzylic C(sp3)-H bonds for the synthesis of 3-hydroxyisoindolinones". supporting information. p. 8604 - 8607. Retrieved 2021/09/02.