(2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Base Information

Chemical Name:(2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CAS No.:114300-71-9
Molecular Formula:C16H17 N5 O4
Molecular Weight:343.34
Hs Code.:
DSSTox Substance ID:DTXSID10921313
Wikidata:Q82894119
Mol file:114300-71-9.mol

Synonyms:2'-deoxy-N(2)-phenylguanosine;N(2)-phenyl-2'-deoxyguanosine;PhdG

Suppliers and Price of (2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

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
N(2)-PHENYL-2'-DEOXYGUANOSINE 95.00%
5MG
$ 495.48

Total 2 raw suppliers

Chemical Property of (2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Property:

Melting Point:128-131 °C
Boiling Point:697.8oC at 760 mmHg
PKA:8.86±0.20(Predicted)
Flash Point:375.8oC
PSA：125.55000
Density:1.68±0.1 g/cm3(Predicted)
LogP:0.25440
XLogP3:1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:343.12805404
Heavy Atom Count:25
Complexity:452

Purity/Quality:

97% ^*data from raw suppliers

N(2)-PHENYL-2'-DEOXYGUANOSINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O
Isomeric SMILES:C1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

Technology Process of (2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

There total 10 articles about (2R,3R,4S,5R)-2-(2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol 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: 62.0%

: 114300-78-6
2-anilino-6-chloro-9-(2-deoxy-β-D-ribofuranosyl)purine

: 114300-71-9
N²-phenyl-9-(2-deoxy-β-D-ribofuranosyl)guanine

Guidance literature:: With sodium methylate; 2-hydroxyethanethiol; In methanol; for 72h; Heating;
DOI:10.1021/jm00403a004

Reference yield: 28.0%

: 142048-09-7
2-(Cyclohexa-2,4-dienylamino)-9-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one

: 114300-71-9
N²-phenyl-9-(2-deoxy-β-D-ribofuranosyl)guanine

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); triethylamine; In N,N-dimethyl acetamide; at 80 ℃;
DOI:10.1039/c39920000637

Reference yield:

: 3056-12-0,3601-89-6,4330-21-6,52304-86-6,141846-57-3
2-deoxy-3,5-di-O-(p-toluoyl)-α-D-erythropentofuranosyl chloride

: 114300-71-9
N²-phenyl-9-(2-deoxy-β-D-ribofuranosyl)guanine

Guidance literature:: Multi-step reaction with 3 steps

1: 43 percent / sodium hydride / acetonitrile / 2 h / Ambient temperature

2: 71 percent / sodium methoxide / methanol / 2.5 h / Ambient temperature

3: 62 percent / 2-mercaptoethanol, sodium methoxide / methanol / 72 h / Heating

With sodium methylate; sodium hydride; 2-hydroxyethanethiol; In methanol; acetonitrile;
DOI:10.1021/jm00403a004