4-(3-methoxybenzoyl)benzoic Acid

Base Information

• Chemical Name: 4-(3-methoxybenzoyl)benzoic Acid
• CAS No.: 156727-76-3
• Molecular Formula: C15H12O4
• Molecular Weight: 256.258
• DSSTox Substance ID: DTXSID40434986
• Wikidata: Q82249624

Synonyms:4-(3-methoxybenzoyl)benzoic Acid;156727-76-3;4-(3'-Methoxybenzoyl)benzoic Acid;SCHEMBL1992698;4-(3-methoxybenzoyl)benzoicAcid;DTXSID40434986;XMCMXNDLBJCBMQ-UHFFFAOYSA-N;AKOS022352904;CS-0235415;FT-0671156;EN300-156380;Z1741838486;4-(3 inverted exclamation mark -Methoxybenzoyl)benzoic Acid

Chemical Property of 4-(3-methoxybenzoyl)benzoic Acid

Chemical Property:

• Melting Point: 168-170°C
• Boiling Point: 463.0±30.0 °C(Predicted)
• PKA: 3.72±0.10(Predicted)
• PSA: 63.60000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 2.62440
• Solubility.: Dichloromethane, Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

4-(3’-Methoxybenzoyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)C(=O)O
• Uses: 4-(3’-Methoxybenzoyl)benzoic Acid (cas# 156727-76-3) is a compound useful in organic synthesis.

Technology Process of 4-(3-methoxybenzoyl)benzoic Acid

There total 7 articles about 4-(3-methoxybenzoyl)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: 76.0%

(4-methylphenyl)-(3-methoxyphenyl)methanone (82520-37-4) → 4-(3-methoxybenzoyl)benzoic acid (156727-76-3)

Guidance literature:

(4-methylphenyl)-(3-methoxyphenyl)methanone; With potassium permanganate; In water; tert-butyl alcohol; for 7.5h; Reflux;

With sodium hydroxide; In water;

With hydrogenchloride; In water;

Reference yield:

m-anisoyl chloride (1711-05-3) → 4-(3-methoxybenzoyl)benzoic acid (156727-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / AlCl₃ / nitromethane / 0.75 h / Ambient temperature

2: 53 percent / KMnO₄ / 2-methyl-propan-2-ol; H₂O / 7.5 h / Heating

With potassium permanganate; aluminium trichloride; In nitromethane; water; tert-butyl alcohol;

DOI:10.1021/jm960319n

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 4-(3-methoxybenzoyl)benzoic acid (156727-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / AlCl₃ / nitromethane / 0.75 h / Ambient temperature

2: 53 percent / KMnO₄ / 2-methyl-propan-2-ol; H₂O / 7.5 h / Heating

With potassium permanganate; aluminium trichloride; In nitromethane; water; tert-butyl alcohol;

DOI:10.1021/jm960319n

upstream raw materials:

(4-methylphenyl)-(3-methoxyphenyl)methanone

m-anisoyl chloride

toluene

Downstream raw materials:

(3-methoxyphenyl)-[4-(pyrrolidine-1-carbonyl)phenyl]methanone

(3-methoxyphenyl)-[4-(piperidine-1-carbonyl)phenyl]methanone

[4-(Azepane-1-carbonyl)-phenyl]-(3-methoxy-phenyl)-methanone

4-(3-methoxybenzoyl)-N-ethyl-N-methylbenzamide

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