Diacetic acid 4-isopropylbenzylidene ester

Base Information

• Chemical Name: Diacetic acid 4-isopropylbenzylidene ester
• CAS No.: 7154-10-1
• Molecular Formula: C14H18O4
• Molecular Weight: 250.295
• NSC Number: 42595
• DSSTox Substance ID: DTXSID60992033
• Nikkaji Number: J2.330.612C
• Wikidata: Q82982042
• Mol file: 7154-10-1.mol

Synonyms:7154-10-1;NSC42595;DTXSID60992033;NSC-42595;[4-(Propan-2-yl)phenyl]methylene diacetate;Methanediol, 1-[4-(1-methylethyl)phenyl]-, diacetate

Chemical Property of Diacetic acid 4-isopropylbenzylidene ester

Chemical Property:

• Vapor Pressure: 0.00426mmHg at 25°C
• Boiling Point: 278.5°C at 760 mmHg
• Flash Point: 114.4°C
• Density: 1.09g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diacetic acid 4-isopropylbenzylidene ester

There total 2 articles about Diacetic acid 4-isopropylbenzylidene ester 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: 95.0%

acetic anhydride (108-24-7) + (4-isopropylbenzaldehyde) (122-03-2) → 1,1-diacetoxy-1-(4-i-propylphenyl)methane (7154-10-1)

Guidance literature:

With lithium trifluoromethanesulfonate; at 20 ℃; for 12h;

DOI:10.1021/jo026678+

Reference yield:

silver(I) acetate (563-63-3) → 1,1-diacetoxy-1-(4-i-propylphenyl)methane (7154-10-1)

Guidance literature:

Reference yield: 90.0%

1,1-diacetoxy-1-(4-i-propylphenyl)methane (7154-10-1) → (4-isopropylbenzaldehyde) (122-03-2)

Guidance literature:

With saccharin sulfonic acid; at 90 ℃; for 0.0333333h; Neat (no solvent);

DOI:10.5012/bkcs.2010.31.8.2399

upstream raw materials:

silver(I) acetate

acetic anhydride

(4-isopropylbenzaldehyde)

Downstream raw materials:

(4-isopropylbenzaldehyde)

Refernces

• 1、 Kalla, Reddi Mohan Naidu,Kim, Mi Ri,Kim, Yu Na,Kim, Il. "Tungstosulfonic acid as an efficient solid acid catalyst for acylal synthesis for the protection of the aldehydic carbonyl group". supporting information. p. 687 - 693. Retrieved 2016/01/12.
• 2、 Shirini,Mamaghani,Mostashari-Rad,Abedini. "Saccharin sulfonic acid as an efficient catalyst for the preparation and deprotection of 1,1-diacetates". experimental part. p. 2399 - 2401. Retrieved 2010/11/18.