Phenyl formate

Base Information

• Chemical Name: Phenyl formate
• CAS No.: 1864-94-4
• Molecular Formula: C7H6 O2
• Molecular Weight: 122.123
• Hs Code.: 29151300
• European Community (EC) Number: 217-471-5
• UNII: V4EL38P3VW
• DSSTox Substance ID: DTXSID30171898
• Nikkaji Number: J80.332D
• Wikidata: Q83042047
• ChEMBL ID: CHEMBL366050
• Mol file: 1864-94-4.mol

Synonyms:PHENYL FORMATE;1864-94-4;Formic acid phenyl ester;Formic acid, phenyl ester;MFCD00014126;V4EL38P3VW;CHEMBL366050;EINECS 217-471-5;PhOCHO;UNII-V4EL38P3VW;SCHEMBL2662;DTXSID30171898;BAA86494;BDBM50152732;Phenyl formate, >=98.0% (GC);AS-56569;SY106351;CS-0119930;FT-0633884;P2770;F20974;EN300-7099473;A903886;J-011968

Chemical Property of Phenyl formate

Chemical Property:

• Vapor Pressure: 2.49mmHg at 25°C
• Melting Point: 33-37 °C(Solv: ethanol (64-17-5))
• Refractive Index: n20/D 1.511
• Boiling Point: 165.2°Cat760mmHg
• Flash Point: 52.6°C
• PSA: 26.30000
• Density: 1.102g/cm³
• LogP: 1.85770
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Immiscible with water, alcohol, ether and benzene.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 122.036779430
• Heavy Atom Count: 9
• Complexity: 84.9

Purity/Quality:

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

Phenyl formate ≥98.0% (GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38-52/53
• Safety Statements: 26-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC=O
• Uses: Phenyl formate is widely used in the palladium-catalyzed carbonylation of aryl, alkenyl and allyl halides. It is also used as a reagent for the formylation of amines.

Technology Process of Phenyl formate

There total 74 articles about Phenyl formate 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: 84.0%

2-phenoxy-1-phenylethanol (4249-72-3) → phenyl formate (1864-94-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With iron(III) chloride; cerium(III) chloride; tetrabutyl-ammonium chloride; oxygen; In acetonitrile; at 20 ℃; for 24h; under 760.051 Torr; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.1c00556

Reference yield: 53.0%

2-phenoxy-1-phenylpropane-1, 3-diol (70110-65-5) → benzaldehyde (100-52-7) + phenyl formate (1864-94-4) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With oxygen; In acetonitrile; for 12h; under 760.051 Torr; Irradiation;

DOI:10.1021/acscatal.8b00022

Reference yield: 22.0%

2-phenoxy-1-phenylethanone (721-04-0) → phenyl formate (1864-94-4) + benzoic acid (65-85-0,8013-63-6) + phenol (108-95-2,27073-41-2)

Guidance literature:

With bis(acetylacetonate)oxovanadium; oxygen; acetic acid; at 80 ℃; for 8h; under 760.051 Torr; Sealed tube;

DOI:10.1039/c6ra23486k

upstream raw materials:

formic acid

tetraphenoxysilane

phenyl chlorosulphinate

formic acid silicic acid-anhydride

Downstream raw materials:

dichloromethyl phenyl ether

5-(2-formyl-6-methoxy-1,2,3,4,5,8-hexahydro-isoquinolin-1-ylmethyl)-2-methoxy-phenol

1-(2'-bromo-4'-methoxy-5'-hydroxybenzyl)-2-formyl-1,3,4,6,7,8-hexahydroisoquinolin-6-one

tert-butyl formate

Refernces

• 1、 Sofuku et al.. "-". . p. 2942,2945. Retrieved 1967.
• 2、 Guo, Tao,He, Jianghua,Liu, Tianwei,Zhang, Yuetao. "One-Pot Transformation of Lignin and Lignin Model Compounds into Benzimidazoles". . . Retrieved 2022/02/07.
• 3、 Gross, Benjamin M.,Oestreich, Martin. "The Trityl Cation Embedded into a [7]Helicene-Like Backbone: Preparation and Application as a Lewis Acid Catalyst". supporting information. p. 2512 - 2516. Retrieved 2021/03/22.