1,3-Benzodioxol-5-ylmethyl phenylacetate

Base Information

Chemical Name:1,3-Benzodioxol-5-ylmethyl phenylacetate
CAS No.:5457-86-3
Molecular Formula:C₁₆H₁₄O₄
Molecular Weight:270.285
Hs Code.:
European Community (EC) Number:226-719-1
NSC Number:23939
DSSTox Substance ID:DTXSID50202996
Nikkaji Number:J210.514D
Wikidata:Q83076362
Mol file:5457-86-3.mol

Synonyms:1,3-Benzodioxol-5-ylmethyl phenylacetate;5457-86-3;EINECS 226-719-1;NSC23939;DTXSID50202996;NSC 23939;NSC-23939;Benzeneacetic acid 1,3-benzodioxol-5-ylmethyl ester

Suppliers and Price of 1,3-Benzodioxol-5-ylmethyl phenylacetate

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 5 raw suppliers

Chemical Property of 1,3-Benzodioxol-5-ylmethyl phenylacetate

Chemical Property:

Vapor Pressure:1.81E-06mmHg at 25°C
Boiling Point:395.6°Cat760mmHg
Flash Point:175.4°C
PSA：44.76000
Density:1.262g/cm³
LogP:2.70120
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:270.08920892
Heavy Atom Count:20
Complexity:324

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)COC(=O)CC3=CC=CC=C3

Technology Process of 1,3-Benzodioxol-5-ylmethyl phenylacetate

There total 2 articles about 1,3-Benzodioxol-5-ylmethyl phenylacetate 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: 74.0%

: 495-76-1
piperonol

: 260783-80-0
N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate

: 201230-82-2
carbon monoxide

: 5457-86-3
benzo[d][1,3]dioxol-5-ylmethyl 2-phenylacetate

Guidance literature:: With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; triphenylphosphine; In toluene; at 100 ℃; for 10h; under 760.051 Torr; Schlenk technique;
DOI:10.1039/c8ob00488a

Reference yield:

: 103-83-3
N,N'-dimethylbenzylamine

: 5457-86-3
benzo[d][1,3]dioxol-5-ylmethyl 2-phenylacetate

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether / 0.5 h / 0 °C

2: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triphenylphosphine; sodium carbonate / toluene / 10 h / 100 °C / 760.05 Torr / Schlenk technique

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; triphenylphosphine; In diethyl ether; toluene;
DOI:10.1039/c8ob00488a