Benzenemethanol, 4-(1-methylethyl)-, formate

Base Information

• Chemical Name: Benzenemethanol, 4-(1-methylethyl)-, formate
• CAS No.: 67634-21-3
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• European Community (EC) Number: 266-826-0
• DSSTox Substance ID: DTXSID20867298
• Nikkaji Number: J333.256J
• Wikidata: Q82854825
• Mol file: 67634-21-3.mol

Synonyms:p-Isopropylbenzyl formate;67634-21-3;Benzenemethanol, 4-(1-methylethyl)-, formate;Benzenemethanol, 4-(1-methylethyl)-, 1-formate;EINECS 266-826-0;SCHEMBL146505;DTXSID20867298;Formic acid 4-(1-methylethyl)benzyl ester

Chemical Property of Benzenemethanol, 4-(1-methylethyl)-, formate

Chemical Property:

• Vapor Pressure: 0.0188mmHg at 25°C
• Boiling Point: 252.9°Cat760mmHg
• Flash Point: 115.7°C
• PSA: 26.30000
• Density: 1.012g/cm³
• LogP: 3.11890
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenemethanol, 4-(1-methylethyl)-, formate

There total 1 articles about Benzenemethanol, 4-(1-methylethyl)-, formate 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: 92.0%

cuminol (536-60-7) + formic acid ethyl ester (109-94-4) → 4-iso-propylbenzyl formate (67634-21-3)

Guidance literature:

With poly(4-vinylpyridinium tribromide); at 20 ℃; for 0.833333h; neat (no solvent);

DOI:10.5012/bkcs.2011.32.4.1399

Reference yield: 87.0%

4-iso-propylbenzyl formate (67634-21-3) + triethylamine (121-44-8) → C15H23NO

Guidance literature:

With palladium diacetate; trifluoroacetic anhydride; bis[2-(diphenylphosphino)phenyl] ether; In acetonitrile; at 130 ℃; for 24h; Sealed tube;

upstream raw materials:

cuminol

formic acid ethyl ester

Refernces

• 1、 Ghorbani-Choghamarani, Arash,Goudarziafshar, Hamid,Zamani, Parisa. "Polyvinylpolypyrrolidoniume tribromide as new and metal-free catalyst for the formylation and trimethylsilylation of hydroxyl group". scheme or table. p. 1207 - 1210. Retrieved 2012/01/05.