5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione

Base Information

Chemical Name:5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione
CAS No.:98736-95-9
Molecular Formula:C₁₂H₁₄N₂O₄
Molecular Weight:250.254
Hs Code.:
DSSTox Substance ID:DTXSID00913106
ChEMBL ID:CHEMBL353868
Mol file:98736-95-9.mol

Synonyms:5-ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione;carbocyclic 2'-deoxy-5-ethynyluridine;carbocyclic 5-ethynyl-2'-deoxyuridine;ethynyl-c-EDU

Suppliers and Price of 5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione

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 4 raw suppliers

Chemical Property of 5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：95.58000
Density:1.44g/cm³
LogP:-0.76550
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:250.09535693
Heavy Atom Count:18
Complexity:462

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C#CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO

Technology Process of 5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione

There total 4 articles about 5-Ethynyl-1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-2,4(1H,3H)-pyrimidinedione 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: 61.0%

: 98736-94-8
(+/-)-1-<(1α,3β,4α)-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-5-<(trimethylsilyl)ethynyl>-2,4(1H,3H)-pyrimidinedione diacetate

: 98736-95-9
C-5-ethynyl-2'-deoxyuridine

Guidance literature:: With sodium methylate; In methanol; Ambient temperature;
DOI:10.1021/jm00151a013

Reference yield:

: 62102-28-7
(+/-)-1-<(1β,3α,4β)-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-2,4(1H,3H)-pyrimidinedione

: 98736-95-9
C-5-ethynyl-2'-deoxyuridine

Guidance literature:: Multi-step reaction with 4 steps

1: 70 percent / pyridine / 21 h / Ambient temperature

2: iodine monochloride / CH₂Cl₂ / 3 h / Heating

3: 75 percent / (Ph₃P)2PdCl₂, CuI, triethylamine / 3 h / 50 °C

4: 61 percent / NaOCH₃ / methanol / Ambient temperature

With pyridine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; sodium methylate; Iodine monochloride; triethylamine; In methanol; dichloromethane;
DOI:10.1021/jm00151a013

Reference yield:

: 83967-19-5
(+/-)-1-<(1α,3β,4α)-3-hydroxy-4-(hydroxymethyl)cyclopentyl>-5-iodo-2,4(1H,3H)-pyrimidinedione diacetate

: 98736-95-9
C-5-ethynyl-2'-deoxyuridine

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / (Ph₃P)2PdCl₂, CuI, triethylamine / 3 h / 50 °C

2: 61 percent / NaOCH₃ / methanol / Ambient temperature

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; sodium methylate; triethylamine; In methanol;
DOI:10.1021/jm00151a013