3-Phenylpropyl formate

Base Information

• Chemical Name: 3-Phenylpropyl formate
• CAS No.: 104-64-3
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2915120000
• European Community (EC) Number: 203-222-8
• NSC Number: 6010
• UNII: 6R8500G08Y
• DSSTox Substance ID: DTXSID40861713
• Nikkaji Number: J35.484H
• Wikidata: Q27265374
• Metabolomics Workbench ID: 46569
• Mol file: 104-64-3.mol

Synonyms:3-Phenylpropyl formate;104-64-3;Hydrocinnamyl formate;BENZENEPROPANOL, FORMATE;Hydrocinnamyl methanoate;3-Phenyl-1-propyl formate;3-Phenylpropyl methanoate;Benzenepropanol, 1-formate;1-Phenyl-3-formyloxypropane;gamma-Phenylpropylformate;gamma-Phenylpropyl formate;Phenylpropyl formate;1-Propanol, 3-phenyl-, formate;FEMA No. 2895;NSC 6010;EINECS 203-222-8;.gamma.-Phenylpropylformate;BRN 2501915;AI3-18532;UNII-6R8500G08Y;NSC-6010;6R8500G08Y;3-phenylpropyl ormate;3-phenyl propyl formate;3 - phenylpropyl formate;WLN: VHO3R;SCHEMBL27373;FEMA 2895;Formic acid 3-phenylpropyl ester;DTXSID40861713;NSC6010;CHEBI:180396;Formic acid, 3-phenylpropyl ester;3-PHENYLPROPYL FORMATE [FHFI];AKOS006271897;LS-3050;FT-0692258;Q27265374;2-Methyl-4-oxo-1,4-dihydro-quinoline-8-carboxylicacid

Chemical Property of 3-Phenylpropyl formate

Chemical Property:

• Vapor Pressure: 0.0773mmHg at 25°C
• Refractive Index: 1.503
• Boiling Point: 227.5°Cat760mmHg
• Flash Point: 101.4°C
• PSA: 26.30000
• Density: 1.033g/cm³
• LogP: 2.42810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 117

Purity/Quality:

98%,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)CCCOC=O

Technology Process of 3-Phenylpropyl formate

There total 10 articles about 3-Phenylpropyl 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: 99.0%

1-benzyloxy-3-phenylpropane (70770-06-8) + formic acid ethyl ester (109-94-4) → 3-phenyl-1-propanol formate ester (104-64-3)

Guidance literature:

With Bromotrichloromethane; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In dichloromethane; at 20 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.5b00663

Reference yield: 99.0%

3-Phenyl-1-propanol (122-97-4) + (4,6-dichloro-[1,3,5]triazin-2-yloxymethylene)-dimethyl-ammonium; fluoride → 3-phenyl-1-propanol formate ester (104-64-3) + 4,6-dichloro-2-hydroxy-1,3,5-triazine (15791-08-9)

Guidance literature:

In dichloromethane; at 25 ℃; for 0.25h;

DOI:10.1021/jo0257492

Reference yield: 95.0%

formic acid (64-18-6) + 3-Phenyl-1-propanol (122-97-4) → 3-phenyl-1-propanol formate ester (104-64-3)

Guidance literature:

With silica triflate; In hexane; for 0.166667h; Heating;

DOI:10.1080/10426500601160710

upstream raw materials:

3-Phenyl-1-propanol

formic acid ethyl ester

formic acid

2-(3-phenylpropoxy)tetrahydro-2H-pyran

Downstream raw materials:

pent-1-yne-1,5-diyldibenzene

(3-(difluoromethoxy)propyl) benzene

γ-Phenylpropyl-dichlormethylether

3-Phenyl-1-propanol

Refernces

• 1、 Chen, Xiao-Chao,Gao, Han,Liu, Lei,Liu, Ye,Lu, Yong,Xia, Fei,Yang, Shu-Qing. "Ir-catalyzed tandem hydroformylation-transfer hydrogenation of olefins with (trans-/cis-)formic acid as hydrogen source in presence of 1,10-phenanthroline". . p. 183 - 193. Retrieved 2020.
• 2、 Fernando, Jared E. M.,Levens, Alison,Moock, Daniel,Lupton, David W.. "N-Heterocyclic Carbene Catalyzed Transformylation". . p. 3505 - 3510. Retrieved 2017/07/27.