Methyl diphenylacetate

Base Information

• Chemical Name: Methyl diphenylacetate
• CAS No.: 3469-00-9
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• European Community (EC) Number: 222-431-5
• NSC Number: 120416,27912
• UNII: 4H8021R61U
• DSSTox Substance ID: DTXSID80188239
• Nikkaji Number: J121.277J
• Wikidata: Q27259589
• Mol file: 3469-00-9.mol

Synonyms:Methyl diphenylacetate;3469-00-9;methyl 2,2-diphenylacetate;Acetic acid, diphenyl-, methyl ester;Diphenylacetic acid, methyl ester;UNII-4H8021R61U;Benzeneacetic acid, .alpha.-phenyl-, methyl ester;EINECS 222-431-5;NSC-27912;4H8021R61U;NSC-120416;Methyl 2,2-diphenylacetate;METHYLDIPHENYLACETATE;CBMicro_020304;(C6H5)2CHCOOCH3;Methyl diphenylacetate, 99%;SCHEMBL1578804;Diphenylacetic Acid Methyl Ester;Diphenyl-acetic acid methyl ester;DTXSID80188239;CCG-5034;NSC27912;MFCD00025869;NSC 27912;NSC120416;STK415184;AKOS003242148;NSC 120416;AS-58719;BIM-0020402.P001;CS-0020167;D2888;DIPHENYLACETIC ACID METHYL ESTER [MI];FT-0634871;W11417;A822349;AG-205/01770004;SR-01000195348;SR-01000195348-1;Q27259589;1,1,1,3,3,3-hexafluoro-N-[2,2,2-trifluoro-1-(trifluoromethyl)-1-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]amino]ethyl]propan-2-imine

Chemical Property of Methyl diphenylacetate

Chemical Property:

• Vapor Pressure: 0.000299mmHg at 25°C
• Melting Point: 59-62 °C(lit.)
• Refractive Index: 1.559
• Boiling Point: 321.4 °C at 760 mmHg
• Flash Point: 131.1 °C
• PSA: 26.30000
• Density: 1.097 g/cm³
• LogP: 2.99150
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 219

Purity/Quality:

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

Methyl2,2-Diphenylacetate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
• Uses: Methyl diphenylacetate is used as a chemical, organic intermediate. methyl 2,2-diphenylacetate is a useful research chemical.

Technology Process of Methyl diphenylacetate

There total 70 articles about Methyl diphenylacetate 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: 100.0%

2,2-diphenylacetic acid (117-34-0) + poly(p-methyltriazenestyrene) → methyl 2,2-diphenylacetate (3469-00-9)

Guidance literature:

In 1,2-dimethoxyethane; at 20 ℃; for 96h;

DOI:10.1002/chem.200204739

Reference yield: 98.7%

methanol (67-56-1) + 2,2-diphenylacetic acid (117-34-0) → methyl 2,2-diphenylacetate (3469-00-9)

Guidance literature:

2,2-diphenylacetic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 25 ℃;

methanol; In dichloromethane; at 25 ℃; Cooling with ice;

Reference yield: 96.0%

Methyl phenyldiazoacetate (22979-35-7) + trimethyl(phenyl)stannane (934-56-5) → methyl 2,2-diphenylacetate (3469-00-9)

Guidance literature:

With potassium fluoride; [Rh(OH)(cod)]2; XPhos; In tetrahydrofuran; water; at 70 ℃; for 1h; Reagent/catalyst; Solvent; Catalytic behavior; Heating; Inert atmosphere;

DOI:10.1071/CH15218

upstream raw materials:

diazomethane

2,2-diphenylacetic acid

methanol

1,1'-(2,2,2-trifluoro-1,1-ethanediyl)dibenzene

Downstream raw materials:

1,1,3,3-tetraphenylpropane-2-one

N-(2-Hydroxyethyl)-2,2-diphenylacetamid

methyl α-hydroperoxy-α,α-diphenylacetate

1-(4-Methoxy-phenyl)-6,6-diphenyl-hexane-1,3,5-trione

Refernces

• 1、 Cheng, Xionglve,Jiang, Gangzhong,Li, Xingxing,Tao, Suyan,Wan, Xiaobing,Zhao, Yanwei,Zheng, Yonggao. "Green Esterification of Carboxylic Acids Promoted by tert-Butyl Nitrite". supporting information. p. 2713 - 2718. Retrieved 2021/06/25.
• 2、 Jiang, Zhiyong,Li, Haijun,Wei, Guo,Yang, Hui. "Photoredox Catalytic Phosphite-Mediated Deoxygenation of α-Diketones Enables Wolff Rearrangement and Staudinger Synthesis of β-Lactams". supporting information. p. 19696 - 19700. Retrieved 2021/08/03.