Benzyl formate

Base Information

• Chemical Name: Benzyl formate
• CAS No.: 104-57-4
• Molecular Formula: C8H8O2
• Molecular Weight: 136.15
• Hs Code.: 2915.13
• European Community (EC) Number: 203-214-4
• NSC Number: 8049
• UNII: 79GJF97O0Y
• DSSTox Substance ID: DTXSID5059298
• Nikkaji Number: J53.979A
• Wikidata: Q4083784
• Metabolomics Workbench ID: 49384
• Mol file: 104-57-4.mol

Synonyms:benzyl formate

Chemical Property of Benzyl formate

Chemical Property:

• Appearance/Colour: Colorless Transparent Liquid
• Vapor Pressure: 0.273mmHg at 25°C
• Melting Point: 4ºC
• Refractive Index: 1.509 - 1.514
• Boiling Point: 203 °C(lit.)
• Flash Point: 180 °F
• PSA: 26.30000
• Density: 1.088 g/mL at 25 °C(lit.)
• LogP: 1.99550
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water, soluble in organic solvents, oils.
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 95.4

Purity/Quality:

95%min ^*data from raw suppliers

Benzyl Formate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R21/22:
• Hazard Codes: Xn
• Statements: 21/22
• Safety Statements: 36-36/37-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC=O
• Uses: Solvent for cellulose esters; in perfumery.

Technology Process of Benzyl formate

There total 102 articles about Benzyl 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: 64.0%

phenylacetaldehyde (122-78-1) → benzyl formate (104-57-4) + benzaldehyde (100-52-7)

Guidance literature:

With Desulfoarculus baarsii superoxide reductase E₄₇A; dihydrogen peroxide; In acetonitrile; at 20 ℃; for 0.0333333h; pH=8.5; Reagent/catalyst; Inert atmosphere; Enzymatic reaction;

DOI:10.1039/c4cc06114d

Reference yield: 40.0%

N-methyl-N-phenylformamide (93-61-8) + benzyl alcohol (100-51-6,185532-71-2) → benzyl formate (104-57-4) + benzyl chloride (100-44-7)

Guidance literature:

N-methyl-N-phenylformamide; With Phthaloyl dichloride; In 1,4-dioxane; at 50 - 80 ℃; for 1h;

benzyl alcohol; In 1,4-dioxane; at 20 - 70 ℃; for 4h; Temperature;

Reference yield: 22.0%

benzyl chloride (100-44-7) → benzyl fluoride (350-50-5) + dibenzyl ether (103-50-4) + benzyl formate (104-57-4) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

With potassium fluoride; formamide; tetrabutylammomium bromide; at 120 ℃; for 72h;

upstream raw materials:

formic acid

3-benzyloxy-2-methyl-butan-2-ol

benzyl bromide

formamide

Downstream raw materials:

N-benzylpyridin-2-amine

dibenzyl 4-methoxyphenylphosphonodithioate

1-benzyloxy-2,2-dichloroethene

1-methyl-3-(phenylmethyl)-benzene

Refernces

• 1、 Bissonnette, Martine C.,George, M.,Holmes John, L.. "Aryl Cations: Searching for and Assigning Structures to + Isomers". . p. 1019 - 1022. Retrieved 1991.
• 2、 Zolfigol, Mohammad Ali,Chehardoli, Gholamabbas,Dehghanian, Mina,Niknam, Khodabakhsh,Shirini, Farhad,Khoramabadi-Zad, Ahmad. "Silica sulfuric acid and AI(HSO4)3: As efficient catalysts for the formylation of alcohols by using ethyl formate under heterogeneous conditions". . p. 885 - 889. Retrieved 2008.
• 3、 Zhang, Bo,Du, Gaixia,Hang, Wei,Wang, Sheng,Xi, Chanjuan. "Lewis Base Promoted Reduction of CO2 with BH3NH3 into Boryl Formates: CO2 as a Carbon Source in Organic Synthesis Under Mild Conditions". . p. 1739 - 1743. Retrieved 2018.
• 4、 Das, Kousik,De, Ratnadip,Roy, Soumyajit,Verpoort, Francis. "Operando systems chemistry reaction catalysis (OSCR-Cat) for visible light driven CO2conversion". . p. 13355 - 13365. Retrieved 2021/06/16.
• 5、 Sonawane, Rahul B.,Sonawane, Swapnali R.,Rasal, Nishant K.,Jagtap, Sangeeta V.. "Chemoselective: O -formyl and O -acyl protection of alkanolamines, phenoxyethanols and alcohols catalyzed by nickel(ii) and copper(ii)-catalysts". supporting information. p. 3186 - 3195. Retrieved 2020/06/19.