Phenyl hydrogen phenylmalonate

Base Information

Chemical Name:Phenyl hydrogen phenylmalonate
CAS No.:21601-78-5
Deprecated CAS:61291-54-1
Molecular Formula:C15H12 O4
Molecular Weight:256.258
Hs Code.:2918990090
European Community (EC) Number:244-470-7
DSSTox Substance ID:DTXSID10865001
Nikkaji Number:J226.237A
Mol file:21601-78-5.mol

Synonyms:Phenyl hydrogen phenylmalonate;21601-78-5;Propanedioic acid, phenyl-, monophenyl ester;Propanedioic acid, 2-phenyl-, 1-phenyl ester;3-oxo-3-phenoxy-2-phenylpropanoic acid;Phenylmalonic acid monophenyl ester;phenylmalonic acid phenylester;SCHEMBL6439691;DTXSID10865001;EINECS 244-470-7;2-Phenylpropanedioic acid hydrogen 1-phenyl ester

Suppliers and Price of Phenyl hydrogen phenylmalonate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of Phenyl hydrogen phenylmalonate

Chemical Property:

Vapor Pressure:9.32E-09mmHg at 25°C
Refractive Index:1.599
Boiling Point:446.5°Cat760mmHg
Flash Point:170.2°C
PSA：63.60000
Density:1.283g/cm³
LogP:2.46040
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:256.07355886
Heavy Atom Count:19
Complexity:314

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C(=O)O)C(=O)OC2=CC=CC=C2

Technology Process of Phenyl hydrogen phenylmalonate

There total 4 articles about Phenyl hydrogen phenylmalonate 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: 86.0%

: 2613-89-0
phenylmalonic acid

: 108-95-2,27073-41-2
phenol

: 21601-78-5
phenylmalonic acid monophenyl ester

Guidance literature:: phenylmalonic acid; With meta-hydroxyacetanilide; In toluene; at 85 ℃; under 14.2514 Torr;

phenol; With ethylenediamine; for 3.5h; Temperature; Pressure; Concentration; Reflux;

Reference yield: 65.0%

: 2-bromo-N-methyl-2-phenyl-N-tosylacetamide

: 65-85-0,8013-63-6
benzoic acid

: 21601-78-5
phenylmalonic acid monophenyl ester

Guidance literature:: 2-bromo-N-methyl-2-phenyl-N-tosylacetamide; benzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

With lithium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 10h;
DOI:10.1021/acscatal.6b01599

Reference yield:

: 1005500-77-5
N,4-dimethyl-N-(phenylethynyl)benzenesulfonamide

: 21601-78-5
phenylmalonic acid monophenyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; 2-bromopyridine-N-oxide; trimethylsilylazide / 1,2-dichloro-ethane / 4 h / 40 °C

2.1: potassium carbonate / N,N-dimethyl-formamide / 10 h / 20 °C

2.2: 10 h / 20 °C

With 2-bromopyridine-N-oxide; trimethylsilylazide; potassium carbonate; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In 1,2-dichloro-ethane; N,N-dimethyl-formamide;
DOI:10.1021/acscatal.6b01599