4-Methoxybenzyl acetate

Base Information

• Chemical Name: 4-Methoxybenzyl acetate
• CAS No.: 104-21-2
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29153900
• European Community (EC) Number: 203-185-8
• NSC Number: 46102
• UNII: 2GEC7KBO31
• DSSTox Substance ID: DTXSID1044770
• Nikkaji Number: J31.561C
• Wikipedia: Anisyl_acetate
• Wikidata: Q2823825
• RXCUI: 2605801
• Metabolomics Workbench ID: 46194
• ChEMBL ID: CHEMBL3184606
• Mol file: 104-21-2.mol

Synonyms:anisyl acetate

Chemical Property of 4-Methoxybenzyl acetate

Chemical Property:

• Appearance/Colour: clear colourless to pale yellowish liquid
• Vapor Pressure: 0.000846mmHg at 25°C
• Melting Point: 84oC
• Refractive Index: n20/D 1.513(lit.)
• Boiling Point: 251.376 °C at 760 mmHg
• Flash Point: 98.919 °C
• PSA: 35.53000
• Density: 1.084 g/cm³
• LogP: 1.75830
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 1.982g/L(25 oC)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(C=C1)OC
• Uses: Perfumery, flavoring.

Technology Process of 4-Methoxybenzyl acetate

There total 106 articles about 4-Methoxybenzyl acetate 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%

vinyl acetate (108-05-4,9003-20-7) + 4-Methoxybenzyl alcohol (105-13-5) → p-methoxybenzyl acetate (104-21-2)

Guidance literature:

With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes; at 50 ℃; for 4.5h; Green chemistry;

DOI:10.1039/c5ra10032a

Reference yield: 99.0%

acetic acid (64-19-7,77671-22-8) + 4-Methoxybenzyl alcohol (105-13-5) → p-methoxybenzyl acetate (104-21-2)

Guidance literature:

With cobalt(II) chloride; at 60 ℃; for 0.4h;

DOI:10.1016/j.tet.2005.01.006

Reference yield: 99.0%

acetic anhydride (108-24-7) + 4-Methoxybenzyl alcohol (105-13-5) → p-methoxybenzyl acetate (104-21-2)

Guidance literature:

With tin(IV) tetraphenylporphyrin perchlorate; at 20 ℃; for 0.0833333h;

DOI:10.1081/SCC-120003629

upstream raw materials:

p-methylanizole

N,N-dimethyl-4-methoxylbenzylamine

acetic anhydride

4-Methoxybenzyl alcohol

Downstream raw materials:

p-benzylanizole

2-[(4-methoxyphenyl)methyl]cyclopentanone

Estragole

4-methoxy-benzaldehyde

Refernces

• 1、 Bacha,Kochi. "". . p. 83. Retrieved 1968.
• 2、 Constantinou-Kokotou, Violetta,Peristeraki, Anna. "Microwave-assisted NiCl2 promoted acylation of alcohols". . p. 4227 - 4232. Retrieved 2004.
• 3、 Shahnavaz, Zohreh,Zaharani, Lia,Khaligh, Nader Ghaffari,Mihankhah, Taraneh,Johan, Mohd Rafie. "Synthesis, Characterisation, and Determination of Physical Properties of New Two-Protonic Acid Ionic Liquid and its Catalytic Application in the Esterification". . p. 165 - 172. Retrieved 2021.
• 4、 Nazarzadeh, Somayeh,Ghorbani-Choghamarani, Arash,Tahanpesar, Elham. "Synthesis and characterization of MCM-41@XA@Ni(II) as versatile and heterogeneous catalyst for efficient oxidation of sulfides and acetylation of alcohols under solvent-free conditions". . p. 649 - 659. Retrieved 2018.
• 5、 Asadolah, Karim,Heravi, Majid M.. "CuSO4 as a mild, green, and efficient catalyst for the one-pot conversion of THP ethers to acetates". . p. 867 - 869. Retrieved 2007.
• 6、 Ren, Yiming,Cai, Chun. "Molecular iodine in ionic liquid: A green catalytic system for esterification and transesterification". . p. 1670 - 1676. Retrieved 2010.
• 7、 Harjani, Jitendra R.,Nara, Susheel J.,Salunkhe, Manikrao M.,Sanghvi, Yogesh S.. "Transprotection of silyl ethers of nucleosides in FeCl3 based ionic liquids". . p. 819 - 822. Retrieved 2005.
• 8、 Phukan, Prodeep. "Iodine as an extremely powerful catalyst for the acetylation of alcohols under solvent-free conditions". . p. 4785 - 4787. Retrieved 2004.
• 9、 Stewart, Gavin W.,Maligres, Peter E.,Baxter, Carl A.,Junker, Ellyn M.,Krska, Shane W.,Scott, Jeremy P.. "An approach to heterodiarylmethanes via sp2-sp3 Suzuki-Miyaura cross-coupling". . p. 3701 - 3706. Retrieved 2016.
• 10、 Hajipour, Abdol R.,Karimi, Hirbod,Masti, Amir. "Acetylation of alcohols and phenols under solvent-free conditions using iron zirconium phosphate". . p. 595 - 602. Retrieved 2015.