Benzophenone-carbonyl-13C

Base Information

• Chemical Name: Benzophenone-carbonyl-13C
• CAS No.: 32488-48-5
• Molecular Formula: C13H10 O
• Molecular Weight: 183.211
• European Community (EC) Number: 693-166-4
• DSSTox Substance ID: DTXSID20457552
• Nikkaji Number: J673.788I
• Wikidata: Q82280429
• Mol file: 32488-48-5.mol

Synonyms:32488-48-5;BENZOPHENONE-CARBONYL-13C;Benzophenone-(carbonyl-13C);diphenyl(113C)methanone;Benzophenone-13C;Diphenyl(~13~C)methanone;DTXSID20457552;HY-Y0546S2;4-SULPHOBENZOICACIDPOTASSIUMSALT;AKOS015889185;CS-0541871;Benzophenone-(carbonyl-13C), 99 atom % 13C;D99418;J-018759

Chemical Property of Benzophenone-carbonyl-13C

Chemical Property:

• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 305 °C(lit.)
• Flash Point: >230 °F
• PSA: 17.07000
• Density: 1.087g/cm³
• LogP: 2.91760
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 183.076519774
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Benzophenone-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-52/53
• Safety Statements: 26-36-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)[13C](=O)C2=CC=CC=C2

Technology Process of Benzophenone-carbonyl-13C

There total 12 articles about Benzophenone-carbonyl-13C 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: 55.0%

carbon dioxide (1111-72-4) + phenyllithium (591-51-5) → 1-(13C)benzoic acid (3880-99-7) + benzophenone (32488-48-5) + <13C>-Triphenylmethanol (3881-15-0)

Guidance literature:

In diethyl ether; hexane; at 20 ℃; for 0.333333h; Title compound not separated from byproducts;

DOI:10.1055/s-2001-18702

Reference yield: 26.0%

1-(13C)benzoic acid (3880-99-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → benzophenone (32488-48-5)

Guidance literature:

1-(13C)benzoic acid; In thionyl chloride; for 2h; Reflux;

benzene; With aluminum (III) chloride; at 40 ℃; for 14h; Inert atmosphere;

DOI:10.1002/anie.201301881

Reference yield:

benzophenone (119-61-9) + benzophenone-carbonyl-13C radical anion → benzophenone (32488-48-5) + benzophenone anion (119-61-9,36909-52-1)

Guidance literature:

In ammonia; at -75 ℃; Equilibrium constant; 14C radioactive samples;

DOI:10.1021/j100323a070

upstream raw materials:

benzophenone

(2H₁₀)benzophenone

benzophenone

[α-13C]benzoyl chloride

Downstream raw materials:

benzophenone

(2H₁₀)benzophenone

benzophenone

<1-13C>-Diphenylmethan

Refernces

• 1、 Yang, Shengjun,Saul, Philip,Mamone, Salvatore,Kaltschnee, Lukas,Gl?ggler, Stefan. "Bimodal Fluorescence/Magnetic Resonance Molecular Probes with Extended Spin Lifetimes". supporting information. . Retrieved 2022/01/11.
• 2、 Siu, Paul W.,Serin, Spencer C.,Krummenacher, Ivo,Hey, Thomas W.,Gates, Derek P.. "Isomerization polymerization of the phosphaalkene MesP=CPh2: An alternative microstructure for poly(methylenephosphine)s". supporting information. p. 6967 - 6970. Retrieved 2013/07/26.