Bis(4-methylbenzoyl)peroxide

Base Information

• Chemical Name: Bis(4-methylbenzoyl)peroxide
• CAS No.: 895-85-2
• Deprecated CAS: 1081830-18-3,925445-00-7,2214234-39-4,808739-96-0,925445-00-7
• Molecular Formula: C16H14O4
• Molecular Weight: 270.285
• Hs Code.: 2916399090
• European Community (EC) Number: 407-950-9
• UNII: YCC4HA3UHV
• DSSTox Substance ID: DTXSID6074332
• Nikkaji Number: J1.595.132J
• Wikidata: Q27294449
• Mol file: 895-85-2.mol

Synonyms:Bis(4-methylbenzoyl)peroxide;Peroxide, bis(4-methylbenzoyl);p-Toluoyl peroxide;895-85-2;bis(4-methylbenzoyl) peroxide;UNII-YCC4HA3UHV;YCC4HA3UHV;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate;EC 407-950-9;4-methylbenzoyl peroxide;p-Toloylperoxyd;p-methylbenzoyl peroxide;di(4-methylbenzoyl)peroxide;di(p-methylbenzoyl) peroxide;SCHEMBL64626;bis(p-methylbenzoyl) peroxide;DTXSID6074332;P,P'-DIMETHYLBENZOYL PEROXID;P,P'-DIMETHYLDIBENZOYL PEROXIDE;Toluene-4-carboperoxoic acid 4-methyl-benzoyl ester;Q27294449

Chemical Property of Bis(4-methylbenzoyl)peroxide

Chemical Property:

• Appearance/Colour: white paste
• Vapor Pressure: 1.14E-06mmHg at 25°C
• Melting Point: 143-144 °C (decomp)
• Refractive Index: 1.573
• Boiling Point: 401.9 °C at 760 mmHg
• Flash Point: 177.9 °C
• PSA: 52.60000
• Density: 1.197 g/cm³
• LogP: 3.23220
• Solubility.: 680 in mg/100g standard fat at 20 ℃
• Water Solubility.: 43μg/L at 20℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 302

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): E,N
• Hazard Codes: E,N
• Statements: 2-7-50/53
• Safety Statements: 7-14-36/37/39-47-60-61

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=C(C=C2)C

Technology Process of Bis(4-methylbenzoyl)peroxide

There total 7 articles about Bis(4-methylbenzoyl)peroxide 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: 91.0%

p-Toluic acid (99-94-5) → di-(4-methylbenzoyl)peroxide (895-85-2)

Guidance literature:

With Eosin Y; triphenylphosphine; In acetonitrile; at 20 ℃; Irradiation;

Reference yield: 86.0%

4-methyl-benzoyl chloride (874-60-2) → di-(4-methylbenzoyl)peroxide (895-85-2)

Guidance literature:

With dihydrogen peroxide; In diethyl ether; water; for 0.166667h;

DOI:10.1021/ol900756g

Reference yield: 58.3%

4-methyl-benzaldehyde (104-87-0) → di-(4-methylbenzoyl)peroxide (895-85-2) + 4-methylperbenzoic acid (937-21-3) + p-Toluic acid (99-94-5)

Guidance literature:

With oxygen; ozone; lithium chloride; In tetrachloromethane; at 50 ℃;

upstream raw materials:

para-chlorotoluene

4-(methylbenzoyl)imidazoline

4-methyl-benzoyl chloride

p-Toluic acid

Downstream raw materials:

2-methyl-3-(4-methylphenyl)-1,4-naphthoquinone

3-trityl-benzoic acid methyl ester

4-methylperbenzoic acid

p-tolyl

Refernces

• 1、 Chen, Jiangfei,Zhu, Yan-Ping,Li, Jin-Heng,Wang, Qiu-An. "External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with: O -benzoylhydroxylamines". supporting information. p. 5215 - 5218. Retrieved 2021/05/31.
• 2、 Botla, Vinayak,Pilli, Navyasree,Malapaka, Chandrasekharam. "Uncatalyzed, on water oxygenative cleavage of inert C-N bond with concomitant 8,7-amino shift in 8-aminoquinoline derivatives". supporting information. p. 1735 - 1742. Retrieved 2019/04/08.