Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester

Base Information

Chemical Name:Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester
CAS No.:124041-07-2
Molecular Formula:C14H13 F N2 O3 S
Molecular Weight:308.328
Hs Code.:
DSSTox Substance ID:DTXSID70154201
Wikidata:Q83021353
Mol file:124041-07-2.mol

Synonyms:BRN 3624437;124041-07-2;Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester;Ethyl ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)acetate;C14H13FN2O3S;DTXSID70154201;C14-H13-F-N2-O3-S

Suppliers and Price of Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester

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 3 raw suppliers

Chemical Property of Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester

Chemical Property:

Vapor Pressure:3.76E-07mmHg at 25°C
Boiling Point:416.7°Cat760mmHg
Flash Point:205.8°C
Density:1.34g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:308.06309162
Heavy Atom Count:21
Complexity:327

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CSC1=NC=NC(=C1)OC2=CC=C(C=C2)F

Technology Process of Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester

There total 2 articles about Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, ethyl ester 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: 70.0%

: 124041-01-6
6-(4-fluorophenoxy)-4-chloropyrimidine

: 623-51-8
ethyl 2-sulfanylacetate

: 124041-07-2
ethyl <6-(4-fluorophenoxy)-4-pyrimidinylthio>acetate

Guidance literature:: With triethylamine; at 80 - 100 ℃;
DOI:10.1007/BF01145809

Reference yield:

: 371-41-5
4-Fluorophenol

: 124041-07-2
ethyl <6-(4-fluorophenoxy)-4-pyrimidinylthio>acetate

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / NaOH, tetrabutylammonium bromide / 1,2-dichloro-ethane; H₂O / 1.) RT, 2 h, 2.) 50-70 deg C, 2 h

2: 70 percent / triethylamine / 80 - 100 °C

With sodium hydroxide; tetrabutylammomium bromide; triethylamine; In water; 1,2-dichloro-ethane;
DOI:10.1007/BF01145809