o-Phenylene dibenzoate

Base Information

• Chemical Name: o-Phenylene dibenzoate
• CAS No.: 643-94-7
• Molecular Formula: C20H14 O4
• Molecular Weight: 318.329
• Hs Code.: 2916399090
• European Community (EC) Number: 211-405-9
• NSC Number: 405698
• UNII: H4J46C7S7W
• DSSTox Substance ID: DTXSID00214529
• Nikkaji Number: J205.921E
• Wikidata: Q83090390
• Mol file: 643-94-7.mol

Synonyms:o-Phenylene dibenzoate;(2-benzoyloxyphenyl) benzoate;643-94-7;1,2-phenylene dibenzoate;1,2-Bis(benzoyloxy)benzene;pyrocatechol dibenzoate;1,2-Benzenediol, dibenzoate;EINECS 211-405-9;NSC-405698;catechol dibenzoate;Brenzcatechindibenzoat;1,2-Dibenzoyloxybenzene;ChemDiv3_000288;benzene-1,2-diyl dibenzoate;Oprea1_205299;Oprea1_501722;2-(Benzoyloxy)phenyl benzoate;SCHEMBL725404;H4J46C7S7W;2-(Benzoyloxy)phenyl benzoate #;DTXSID00214529;HMS1473N02;1,2-Benzenediol, 1,2-dibenzoate;NSC405698;STL387339;AKOS000733148;NSC 405698;IDI1_019606;NCGC00176454-01;SR-01000392113;SR-01000392113-1;BRD-K52892284-001-01-7

Chemical Property of o-Phenylene dibenzoate

Chemical Property:

• Vapor Pressure: 1.14E-10mmHg at 25°C
• Boiling Point: 513.8°C at 760 mmHg
• Flash Point: 265.8°C
• PSA: 52.60000
• Density: 1.242g/cm³
• LogP: 4.12500
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 318.08920892
• Heavy Atom Count: 24
• Complexity: 381

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2OC(=O)C3=CC=CC=C3

Technology Process of o-Phenylene dibenzoate

There total 21 articles about o-Phenylene dibenzoate 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: 100.0%

1,2-dimethoxybenzene (91-16-7) + benzoyl chloride (98-88-4) → o-phenylene dibenzoate (643-94-7)

Guidance literature:

With hexabutylguanidium chloride hydrochloride; In 1,2-dichloro-benzene; for 0.833333h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.07.124

Reference yield: 95.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + benzoic acid anhydride (93-97-0) → o-phenylene dibenzoate (643-94-7)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In acetonitrile; for 1.3h; Ambient temperature;

DOI:10.1021/jo952237x

Reference yield: 90.0%

benzoyl chloride (98-88-4) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → o-phenylene dibenzoate (643-94-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/ja00030a048

upstream raw materials:

benzoyl chloride

benzene-1,2-diol

2a,8a-dihydro-2a,8a-diphenylbenzo<1,2>dioxeto<3,4e><1,4>dioxin

2,2-di-n-butyl-1,3,2-benzodioxastannole

Downstream raw materials:

3,4-dihydroxybenzophenone

1,2-bis-benzoyloxy-4-nitro-benzene

isoamyl benzoate

benzene-1,2-diol

Refernces

• 1、 Kore, Rajkumar,Srivastava, Rajendra,Satpati, Biswarup. "Synthesis of industrially important aromatic and heterocyclic ketones using hierarchical ZSM-5 and Beta zeolites". . p. 129 - 141. Retrieved 2015/09/28.
• 2、 Ren, Wei,Emi,Yamane, Motoki. "Molybdenum hexacarbonyl mediated alkoxycarbonylation of aryl halides". experimental part. p. 2303 - 2309. Retrieved 2011/09/19.