(E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one

Base Information

Chemical Name:(E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one
CAS No.:111160-31-7
Molecular Formula:C₁₃H₁₄BrN₅O₄
Molecular Weight:384.189
Hs Code.:
ChEMBL ID:CHEMBL3142634
Mol file:111160-31-7.mol

Synonyms:111160-31-7;(E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one;CHEMBL3142634;(E)-5-(2-Bromovinyl)-1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one;5-[(E)-2-bromovinyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one

Suppliers and Price of (E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one

Supply Marketing:

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

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Chemical Property of (E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one

Chemical Property:

Vapor Pressure:4.45E-17mmHg at 25°C
Boiling Point:636.6°C at 760 mmHg
Flash Point:338.8°C
Density:1.89g/cm³
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:383.02292
Heavy Atom Count:23
Complexity:567

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC1N2C=C(C(=NC2=O)N3C=NC=N3)C=CBr)CO)O
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N3C=NC=N3)/C=C/Br)CO)O

Technology Process of (E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one

There total 1 articles about (E)-5-(2-Bromovinyl)-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-4-(1,2,4-triazol-1-yl)pyrimidine-2(1H)-one 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:

: 288-88-0
1,2,4-Triazole

: 69304-47-8
(E)-5-(2-bromovinyl)-2'-deoxyuridine

: 111160-31-7
(E)-5-(2-bromovinyl)-1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one

: (E)- and (Z)-5-(2-bromovinyl)-1-(5-chloro-2,5-dideoxy-β-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one

Guidance literature:: With chloro-trimethyl-silane; trichlorophosphate; Yield given. Multistep reaction. Yields of byproduct given;
DOI:10.1021/jm00396a043