Benzoin methyl ether

Base Information

• Chemical Name: Benzoin methyl ether
• CAS No.: 3524-62-7
• Deprecated CAS: 5987-95-1
• Molecular Formula: C15H14 O2
• Molecular Weight: 226.275
• Hs Code.: 2914.50 DERIVATION
• European Community (EC) Number: 222-538-7
• NSC Number: 76550
• UNII: XIF870BGWW
• DSSTox Substance ID: DTXSID60871031
• Nikkaji Number: J55.034E
• Wikidata: Q27293846
• NCI Thesaurus Code: C83961
• RXCUI: 1307079
• Mol file: 3524-62-7.mol

Synonyms:Benzoin methyl ether;3524-62-7;Methyl benzoin;2-Methoxy-1,2-diphenylethanone;O-Methylbenzoin;Benzoin methyl ester;2-Methoxy-2-phenylacetophenone;Ethanone, 2-methoxy-1,2-diphenyl-;Nisso Cure MBO;Acetophenone, 2-methoxy-2-phenyl-;Benzoinmethyl ether;QCU 3;alpha-Methoxydeoxybenzoin;NSC 76550;alpha-Methoxybenzyl phenyl ketone;NSC76550;1,2-Diphenyl-2-methoxyethan-1-one;EINECS 222-538-7;UNII-XIF870BGWW;XIF870BGWW;BRN 2052112;AI3-10591;NSC-76550;4-08-00-01280 (Beilstein Handbook Reference);WLN: 1OYR&VR;.alpha.-Methoxydeoxybenzoin;Benzoin methyl ether, 96%;Benzoin methyl ether, 98%;Benzoin methyl ether, 99%;SCHEMBL26160;(+/-)-METHYL BENZOIN;DTXSID60871031;.alpha.-Methoxybenzyl phenyl ketone;METHYL BENZOIN, (+/-)-;2-Methoxy-1,2-diphenyl-1-ethanone;MFCD00008492;AKOS015914895;B0869;CS-0067491;FT-0622715;D88707;W-106685;Q27293846

Chemical Property of Benzoin methyl ether

Chemical Property:

• Appearance/Colour: white to off-white powder
• Vapor Pressure: 1.12E-06mmHg at 25°C
• Melting Point: 47 - 49 C
• Refractive Index: 1.6530 (estimate)
• Boiling Point: 188 - 189 C at hPa 15
• Flash Point: > 110 C
• PSA: 26.30000
• Density: 1.102g/cm³
• LogP: 3.25700
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

98% ^*data from raw suppliers

Benzoin Methyl Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
• Uses: Benzoin methyl ether is used in UV curing inks, wood coatings, paper coatings, optical fiber, PCB, screen printing , paper varnish and other surface coatings. It is used for anticratering in powder coatings.

Technology Process of Benzoin methyl ether

There total 66 articles about Benzoin methyl 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: 94.0%

phenyl benzyl ketone (451-40-1) + methanol (67-56-1) → benzoin monomethyl ether (3524-62-7)

Guidance literature:

With ammonium iodide; Oxone; for 10h; Reflux;

DOI:10.1016/j.tetlet.2011.09.106

Reference yield: 94.0%

iodobenzene (591-50-4) + methoxymethyl phenyl ketone (4079-52-1) → benzoin monomethyl ether (3524-62-7)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 60 ℃; for 13h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201502332

Reference yield: 90.0%

methanol (67-56-1) + 2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) → benzoin monomethyl ether (3524-62-7)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 60 - 65 ℃; Heating;

DOI:10.1139/cjc-76-12-1922

upstream raw materials:

2-methoxy-2-phenylacetonitrile

benzoin dimethyl ketal

(R)-2-methoxy-2-phenylacetamide

methanol

Downstream raw materials:

benzoic acid methyl ester

benzoic acid

1-Methoxy-1,2-diphenyl-propan-2-ol

C₂₃H₂₅NO₃S