Acetophenone diethyl ketal

Base Information

• Chemical Name: Acetophenone diethyl ketal
• CAS No.: 4316-37-4
• Molecular Formula: C12H18O2
• Molecular Weight: 194.274
• Hs Code.: 2911000000
• NSC Number: 2202
• DSSTox Substance ID: DTXSID40195747
• Nikkaji Number: J260.924J
• Wikidata: Q63392220
• Mol file: 4316-37-4.mol

Synonyms:Acetophenone diethyl ketal;1,1-diethoxyethylbenzene;4316-37-4;Acetophenone diethyl acetal;NSC2202;SCHEMBL1802466;DTXSID40195747;(1,1-DIETHOXYETHYL)BENZENE;ACETOPHENONE, DIETHYL ACETAL;NSC 2202;NSC-2202;Q63392220

Chemical Property of Acetophenone diethyl ketal

Chemical Property:

• Vapor Pressure: 0.0934mmHg at 25°C
• Boiling Point: 231.7°Cat760mmHg
• Flash Point: 71.2°C
• PSA: 18.46000
• Density: 0.962g/cm³
• LogP: 2.93230
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 194.130679813
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

99%min ^*data from raw suppliers

ACETOPHENONE DIETHYL KETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(C)(C1=CC=CC=C1)OCC

Technology Process of Acetophenone diethyl ketal

There total 18 articles about Acetophenone diethyl ketal 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: 98.0%

orthoformic acid triethyl ester (122-51-0) + acetophenone (98-86-2) → 1,1,-diethoxy-1-phenylethane (4316-37-4)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In ethanol; at 20 ℃; for 18h;

DOI:10.1246/cl.1999.1199

Reference yield: 98.0%

ethanol (64-17-5) + acetophenone (98-86-2) → 1,1,-diethoxy-1-phenylethane (4316-37-4)

Guidance literature:

With orthoformic acid triethyl ester; at 20 ℃; for 4h;

DOI:10.1080/00397910802219361

Reference yield: 98.0%

2-methyl-2-phenyl-[1,3]oxathiolane (5684-32-2) + ethanol (64-17-5) → 1,1,-diethoxy-1-phenylethane (4316-37-4)

Guidance literature:

With N-Bromosuccinimide; at 20 ℃; for 0.166667h;

DOI:10.1016/S0040-4020(02)00389-7

upstream raw materials:

ethanol

α,α‐dibromoethybenzene

sodium ethanolate

orthoformic acid triethyl ester

Downstream raw materials:

(1-ethoxyvinyl)benzene

4-hydroxy-7-chloro-2-phenylquinoline

(Z)-N-(1-phenylethylidene)methanamine N-oxide

ethanol

Refernces

• 1、 Li, Jiawen,Qian, Bo,Huang, Hanmin. "Silver-Catalyzed Olefination of Acetals and Ketals with Diazoesters to β-Alkoxyacrylates". supporting information. p. 7090 - 7094. Retrieved 2018/11/23.
• 2、 Ono, Fumiaki,Inatomi, Yoshiko,Tada, Yuusuke,Mori, Masaki,Sato, Tsuneo. "A facile procedure for acetalization of aldehydes and ketones catalyzed by cerium(III) trifluoromethanesulfonate". experimental part. p. 96 - 97. Retrieved 2009/11/30.