2-(2-iso-Propylbenzoyl)benzoic acid

Base Information

• Chemical Name: 2-(2-iso-Propylbenzoyl)benzoic acid
• CAS No.: 89115-86-6
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.312
• DSSTox Substance ID: DTXSID80567484
• Wikidata: Q82453380
• Mol file: 89115-86-6.mol

Synonyms:89115-86-6;2-(2-iso-Propylbenzoyl)benzoic acid;2-(2-propan-2-ylbenzoyl)benzoic acid;SCHEMBL6561251;DTXSID80567484;2-(2-isopropylbenzoyl)benzoicacid;2-(2isopropylbenzoyl)benzoic acid;KWZZYUSMYABTIB-UHFFFAOYSA-N;2-(2-isopropylbenzoyl)benzoic acid;2-[2-(Propan-2-yl)benzoyl]benzoic acid

Chemical Property of 2-(2-iso-Propylbenzoyl)benzoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 3.73920
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

2-(2-iso-PROPYLBENZOYL)BENZOICACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC=CC=C1C(=O)C2=CC=CC=C2C(=O)O

Technology Process of 2-(2-iso-Propylbenzoyl)benzoic acid

There total 2 articles about 2-(2-iso-Propylbenzoyl)benzoic 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: 20.0%

phthalic anhydride (85-44-9) + (2-isopropylphenyl)magnesium bromide (63488-08-4) → 2-(2-isopropylbenzoyl)-benzoic acid (89115-86-6)

Guidance literature:

In diethyl ether; benzene; for 12h; Heating;

Reference yield:

phthalic anhydride (85-44-9) + 2-isopropyliodobenzene (19099-54-8) → 2-(2-isopropylbenzoyl)-benzoic acid (89115-86-6)

Guidance literature:

2-isopropyliodobenzene; With iodine; magnesium; In diethyl ether;

phthalic anhydride; In diethyl ether; benzene; for 12h; Further stages.; Heating;

DOI:10.1021/jo0261193

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-(2-isopropylbenzoyl)-benzoic acid (89115-86-6) → methyl 2-(2'-isopropylbenzoyl)benzoate

Guidance literature:

In methanol; diethyl ether;

DOI:10.1021/jo0261193

upstream raw materials:

phthalic anhydride

(2-isopropylphenyl)magnesium bromide

2-isopropyliodobenzene