Benzoin isopropyl ether

Base Information

• Chemical Name: Benzoin isopropyl ether
• CAS No.: 6652-28-4
• Deprecated CAS: 85642-78-0
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• Hs Code.: 29145090
• European Community (EC) Number: 229-677-2
• DSSTox Substance ID: DTXSID20884324
• Nikkaji Number: J151.236F
• Mol file: 6652-28-4.mol

Synonyms:Benzoin isopropyl ether;6652-28-4;2-Isopropoxy-1,2-diphenylethanone;Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-;1,2-diphenyl-2-propan-2-yloxyethanone;2-Isopropoxy-2-phenylacetophenone;EINECS 229-677-2;MFCD00015025;Acetophenone, 2-isopropoxy-2-phenyl-;2-(1-Methylethoxy)-1,2-diphenylethan-1-one;CBMicro_021426;Cambridge id 5476007;Oprea1_018388;SCHEMBL25827;Benzoin isopropyl ether, 98%;MSAHTMIQULFMRG-UHFFFAOYSA-;DTXSID20884324;CCG-8907;AKOS015902761;BS-52147;SY049155;1,2-di(phenyl)-2-propan-2-yloxyethanone;BIM-0021396.P001;B0942;CS-0154169;Ethanone,2-(1-methylethoxy)-1,2-diphenyl-;FT-0622716;SR-01000210296;SR-01000210296-1

Chemical Property of Benzoin isopropyl ether

Chemical Property:

• Vapor Pressure: 3.59E-08mmHg at 25°C
• Melting Point: 78-80 °C(lit.)
• Boiling Point: 366.4 °C at 760 mmHg
• Flash Point: 152.1 °C
• PSA: 26.30000
• Density: 1.065 g/cm³
• LogP: 4.03560
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 273

Purity/Quality:

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

Benzoin Isopropyl Ether ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)OC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of Benzoin isopropyl ether

There total 4 articles about Benzoin isopropyl ether 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:

2,2-diisopropoxy-1,1-diphenylethan-1-ol → benzoin isopropyl ether (6652-28-4)

Guidance literature:

With C₅₁H₅₇F₃NO₅PS; In toluene; at 90 ℃; enantioselective reaction; Molecular sieve;

DOI:10.1002/anie.201701098

Reference yield:

2-iodo-propane (75-30-9) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → benzoin isopropyl ether (6652-28-4)

Guidance literature:

With silver(l) oxide; benzene;

Reference yield:

isopropylmagnesium bromide (920-39-8) + benzil (134-81-6) → 2-hydroxy-3-methyl-1,2-diphenylbutan-1-one (27962-40-9) + benzoin isopropyl ether (6652-28-4) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2)

Guidance literature:

With ammonium chloride; Multistep reaction; 1.) ether, room temperature, 2.) 150 deg C, 1 min;

upstream raw materials:

isopropylmagnesium bromide

benzil

2-iodo-propane

2-hydroxy-2-phenylacetophenone

Downstream raw materials:

phenyl benzyl ketone

1,2-diisopropoxy-1,2-diphenylethane

(4-Isopropoxymethyl-phenyl)-phenyl-methanone

ethyl (Z)-2-fluoro-4-isopropoxy-3,4-diphenylbut-2-enoate

Refernces

• 1、 Holm, T.. "The Reaction of Benzil with Grignard Reagents". . p. 278 - 284. Retrieved 2007/10/02.