p-Anisic anhydride

Base Information

• Chemical Name: p-Anisic anhydride
• CAS No.: 794-94-5
• Molecular Formula: C16H14 O5
• Molecular Weight: 286.284
• Hs Code.: 2918999090
• European Community (EC) Number: 212-345-6
• NSC Number: 101011
• UNII: 8835J9XXY8
• DSSTox Substance ID: DTXSID40229637
• Nikkaji Number: J55.237B
• Wikidata: Q83109932
• Mol file: 794-94-5.mol

Synonyms:4-Methoxybenzoic anhydride;p-Anisic anhydride;794-94-5;p-Anisic acid anhydride;Benzoic acid, 4-methoxy-, anhydride;p-Methoxybenzoic anhydride;(4-methoxybenzoyl) 4-methoxybenzoate;4-Anisic anhydride;4-Methoxybenzoic acid anhydride;EINECS 212-345-6;NSC 101011;BRN 0545712;8835J9XXY8;NSC-101011;4-Methoxyphenyl anhydride;4-10-00-00394 (Beilstein Handbook Reference);anisic anhydride;4-Methoxyphenyl anhydride #;SCHEMBL247019;UNII-8835J9XXY8;Bis(4-methoxybenzoic)anhydride;bis-(4-methoxybenzoic)-anhydride;DTXSID40229637;MFCD00017175;NSC101011;STK423366;AKOS003235265;FS-4294;Benzoic acid,4-methoxy-,1,1'-anhydride;LS-20115;CS-0204328;FT-0618919;4-Methoxy-benzoic acid 4-methoxy-benzoyl ester;D91561;BENZOIC ACID, 4-METHOXY-, 1,1'-ANHYDRIDE

Chemical Property of p-Anisic anhydride

Chemical Property:

• Vapor Pressure: 2.06E-08mmHg at 25°C
• Melting Point: 92-97 °C(lit.)
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 453.5 °C at 760 mmHg
• Flash Point: 202.3 °C
• PSA: 61.83000
• Density: 1.219 g/cm³
• LogP: 2.70100
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Soluble in alcohol, ether. Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 286.08412354
• Heavy Atom Count: 21
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methoxybenzoic Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC
• Uses: 4-Methoxybenzoic anhydride is used as pharmaceutical intermediates.

Technology Process of p-Anisic anhydride

There total 33 articles about p-Anisic anhydride 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: 99.0%

4-methoxy-benzoyl chloride (100-07-2) → p-Methoxybenzoic anhydride (794-94-5)

Guidance literature:

With water; triethylamine; In acetone; at 20 ℃; for 2h;

DOI:10.1021/ol0524048

Reference yield: 98.0%

4,5-Dichloro-2-(4-methoxy-benzoyl)-2H-pyridazin-3-one (155164-68-4) → 4,5-dichloro-2H-pyridazin-3-one (932-22-9) + p-Methoxybenzoic anhydride (794-94-5)

Guidance literature:

With zinc(II) chloride; In acetonitrile; for 7h; Heating;

DOI:10.1081/SCC-200048939

Reference yield: 98.0%

4-methoxybenzoic acid (100-09-4) → p-Methoxybenzoic anhydride (794-94-5)

Guidance literature:

With dmap; 2-(4-nitrobenzenesulfonyl)-4,5-dichloropyridazin-3-one; In tetrahydrofuran; at 40 ℃; for 23h;

DOI:10.1055/s-2003-40512

upstream raw materials:

4-methoxy-benzoyl chloride

nitrobenzene

oxalyl dichloride

4-methoxybenzoic acid

Downstream raw materials:

2-(4-Methoxyphenyl)-1,3-benzoxathiolium tetrafluoroborate

(4-methoxyphenyl)(2,5-dimethylphenyl)methanone

3-phenylpropionic acid 3-phenylpropyl ester

3-phenyl-1-propyl 4-methoxybenzoate

Refernces

• 1、 Qiu, Xiaodong,Wang, Panpan,Wang, Dingyi,Wang, Minyan,Yuan, Yu,Shi, Zhuangzhi. "PIII-Chelation-Assisted Indole C7-Arylation, Olefination, Methylation, and Acylation with Carboxylic Acids/Anhydrides by Rhodium Catalysis". supporting information. p. 1504 - 1508. Retrieved 2019/01/04.
• 2、 Zhi, Peng,Xi, Zi-Wei,Wang, Dan-Yan,Wang, Wei,Liang, Xue-Zheng,Tao, Fei-Fei,Shen, Run-Pu,Shen, Yong-Miao. "Vilsmeier-Haack reagent mediated synthetic transformations with an immobilized iridium complex photoredox catalyst". . p. 709 - 717. Retrieved 2019/01/10.