Ethyl 3-(pyrimidin-5-yl)prop-2-enoate

Base Information

Chemical Name:Ethyl 3-(pyrimidin-5-yl)prop-2-enoate
CAS No.:123530-61-0
Molecular Formula:C₉H₁₀N₂O₂
Molecular Weight:178.191
Hs Code.:
DSSTox Substance ID:DTXSID10701359
Mol file:123530-61-0.mol

Synonyms:Ethyl 3-(pyrimidin-5-yl)prop-2-enoate;123530-61-0;3-(5-pyrimidinyl)-2-Propenoic acid ethyl ester;ethyl 3(5-pyrimidyl)acrylate;ethyl 3-(5-pyrimidyl)acrylate;DTXSID10701359;XOGWCENJCSUMFM-UHFFFAOYSA-N;FT-0766495;F70399

Suppliers and Price of Ethyl 3-(pyrimidin-5-yl)prop-2-enoate

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

American Custom Chemicals Corporation
ETHYL-(2E)-3-(PYRIMIDIN-5-YL)PROP-2-ENOATE 95.00%
5MG
$ 500.51

Total 2 raw suppliers

Chemical Property of Ethyl 3-(pyrimidin-5-yl)prop-2-enoate

Chemical Property:

PSA：52.08000
LogP:1.05290
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:178.074227566
Heavy Atom Count:13
Complexity:186

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL-(2E)-3-(PYRIMIDIN-5-YL)PROP-2-ENOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C=CC1=CN=CN=C1

Technology Process of Ethyl 3-(pyrimidin-5-yl)prop-2-enoate

There total 2 articles about Ethyl 3-(pyrimidin-5-yl)prop-2-enoate 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: 75.0%

: 4595-59-9
5-bromopyrimidine

: 140-88-5,9003-32-1
ethyl acrylate

: 123530-61-0
ethyl 3-(5-pyrimidinyl)acrylate

Guidance literature:: With diacetyl peroxide; triphenylphosphine; at 150 ℃; for 6h; in sealed tube;
DOI:10.1248/cpb.37.684

Reference yield: 68.0%

: 123530-61-0
ethyl 3-(5-pyrimidinyl)acrylate

Guidance literature:

Reference yield:

: 123530-61-0
ethyl 3-(5-pyrimidinyl)acrylate

: 2-[2-(4-fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5-ylmethyl-4H-pyrimidin-1-yl]-N-methyl-N-octyl-acetamide

Guidance literature:: Multi-step reaction with 8 steps

1.1: H₂; Et₃N / Pd/C / ethanol

2.1: NaH / 1,2-dimethoxy-ethane

3.1: K₂CO₃ / dimethylformamide

4.1: aq. NaOH

5.1: (COCl)2 / 1,2-dichloro-ethane

6.1: acetonitrile

7.1: dimethylformamide

7.2: NaOEt

8.1: iPrNEt / CH₂Cl₂

With sodium hydroxide; oxalyl dichloride; hydrogen; sodium hydride; potassium carbonate; N-isopropylethylamine; triethylamine; palladium on activated charcoal; In 1,2-dimethoxyethane; ethanol; dichloromethane; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0960-894X(01)00038-5