Methyl 4-acetoxybenzoate

Base Information

• Chemical Name: Methyl 4-acetoxybenzoate
• CAS No.: 24262-66-6
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 2918990090
• European Community (EC) Number: 607-348-8
• DSSTox Substance ID: DTXSID70342085
• Nikkaji Number: J104.023E
• Wikidata: Q27159284
• Metabolomics Workbench ID: 69941
• Mol file: 24262-66-6.mol

Synonyms:Methyl 4-acetoxybenzoate;24262-66-6;methyl 4-acetyloxybenzoate;4-Acetoxybenzoic Acid Methyl Ester;Methyl-4-acetoxybenzoate;4-acetoxy-benzoic acid methyl ester;Methyl p-acetoxybenzoate;Methyl 4-(acetyloxy)benzoate;Benzoic acid, 4-(acetyloxy)-, methyl ester;Benzoic acid, p-hydroxy-, methyl ester, acetate;METHYL4-ACETOXYBENZOATE;ACMC-1CKGD;AC1LB8WY;ZINC00389745;bmse010008;methyl 4-(acetoxy)benzoate;4-acetyl-2-methyl-benzoate;SCHEMBL4647885;Methyl 4-(acetyloxy)benzoate #;CHEBI:86900;DTXSID70342085;p-(Methoxycarbonyl)phenyl acetate;ZAA26266;MFCD00017517;AKOS002951117;A1227;CS-0315018;FT-0617391;PARA-ACETOXYBENZOIC ACID METHYL ESTER;D88397;A817180;Q27159284

Chemical Property of Methyl 4-acetoxybenzoate

Chemical Property:

• Vapor Pressure: 0.00251mmHg at 25°C
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.51
• Boiling Point: 287.2 °C at 760 mmHg
• Flash Point: 141.6 °C
• PSA: 52.60000
• Density: 1.177 g/cm³
• LogP: 1.39850
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 216

Purity/Quality:

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

Methyl 4-Acetoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-acetoxybenzoate

There total 29 articles about Methyl 4-acetoxybenzoate 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%

C10H9IO4 (1201468-73-6) → methyl 4-acetoxybenzoate (24262-66-6)

Guidance literature:

With di-tert-butyl peroxide; tri-n-butyl-tin hydride; Heating;

DOI:10.1016/j.tetlet.2009.08.099

Reference yield: 100.0%

C10H9ClO4 (65695-90-1) → methyl 4-acetoxybenzoate (24262-66-6)

Guidance literature:

With di-tert-butyl peroxide; tri-n-butyl-tin hydride; Heating;

DOI:10.1016/j.tetlet.2009.08.099

Reference yield: 99.0%

acetic anhydride (108-24-7) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → methyl 4-acetoxybenzoate (24262-66-6)

Guidance literature:

With aluminum triflate; at 20 ℃; for 0.00555556h;

DOI:10.1016/j.tetlet.2007.03.162

upstream raw materials:

acetic anhydride

methyl 4-hydroxylbenzoate

diazomethane

4-acetyloxy-benzoic acid

Downstream raw materials:

methyl 3-acetyl-4-hydroxybenzoate

4-acetyloxy-benzoic acid

methyl 4-hydroxylbenzoate

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Refernces

• 1、 An, Yue,Fu, Weiru,Tan, Shangzhi,Wang, Lianyue,Yu, Xiangzhu,Zhao, Zhengjia,Zhu, Lina. "Aerobic oxidative cleavage and esterification of C[dbnd]C bonds catalyzed by iron-based nanocatalyst". . . Retrieved 2022/02/03.
• 2、 Zhang, Yan,Xia, Mingze,Li, Min,Ping, Qian,Yuan, Zhenbo,Liu, Xuanzhong,Yin, Huimin,Huang, Shuping,Rao, Yijian. "Energy-Transfer-Mediated Photocatalysis by a Bioinspired Organic Perylenephotosensitizer HiBRCP". . p. 15284 - 15297. Retrieved 2021/11/01.