Methyl (E)-3-thymin-1-yl-propenoate

Base Information

Chemical Name:Methyl (E)-3-thymin-1-yl-propenoate
CAS No.:117068-48-1
Molecular Formula:C₉H₁₀N₂O₄
Molecular Weight:210.189
Hs Code.:
ChEMBL ID:CHEMBL350834

Synonyms:Methyl (E)-3-thymin-1-yl-propenoate;117068-48-1;CHEMBL350834;methyl (E)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)prop-2-enoate

Suppliers and Price of Methyl (E)-3-thymin-1-yl-propenoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of Methyl (E)-3-thymin-1-yl-propenoate

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：81.16000
Density:1.367g/cm³
LogP:-0.51130
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:210.06405680
Heavy Atom Count:15
Complexity:370

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=O)C=CC(=O)OC
Isomeric SMILES:CC1=CN(C(=O)NC1=O)/C=C/C(=O)OC

Technology Process of Methyl (E)-3-thymin-1-yl-propenoate

There total 1 articles about Methyl (E)-3-thymin-1-yl-propenoate 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: 40.0%

: 922-67-8
propynoic acid methyl ester

: 65-71-4,28806-14-6,691841-57-3
thymin

: 117068-48-1
methyl (E)-3-thymin-1-ylpropenoate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; for 93h; Ambient temperature;
DOI:10.1021/jm00121a015

Reference yield: 83.0%

: 117068-48-1
methyl (E)-3-thymin-1-ylpropenoate

: 60-24-2
2-hydroxyethanethiol

: 117068-49-2
(R,S)-methyl 3-[(2-hydroxyethyl)thio]-3-thymin-1-yl-propanoate

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; Ambient temperature; overnight;
DOI:10.1021/jm00121a015

Reference yield:

: 117068-48-1
methyl (E)-3-thymin-1-ylpropenoate

: 117068-50-5
(R,S)-1-{1-[(2-hydroxyethyl)thio]-3-hydroxypropyl}thymine

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / DBU / tetrahydrofuran / Ambient temperature; overnight

2: 52 percent / LiAlH₄ / tetrahydrofuran

With lithium aluminium tetrahydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran;
DOI:10.1021/jm00121a015