2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-

Base Information

Chemical Name:2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-
CAS No.:145986-27-2
Molecular Formula:C₈H₁₀ClN₃O₃S
Molecular Weight:263.705
Hs Code.:
DSSTox Substance ID:DTXSID90163234
Nikkaji Number:J528.670K
Wikidata:Q83032116
ChEMBL ID:CHEMBL301042
Mol file:145986-27-2.mol

Synonyms:145986-27-2;2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-;(-)-(2R,5S)-5-Chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine;(-)-(2R,5S)-5-Chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine;2(1H)-Pyrimidinone, 4-amino-5-chloro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2R-cis)-;CHEMBL301042;DTXSID90163234;4-amino-5-chloro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;1-[(2R,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]-5-chlorocytosine

Suppliers and Price of 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-

Supply Marketing:

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

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Chemical Property of 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-

Chemical Property:

Vapor Pressure:4.27E-11mmHg at 25°C
Boiling Point:476.8°Cat760mmHg
Flash Point:242.2°C
PSA：116.66000
Density:1.86g/cm³
LogP:0.40170
XLogP3:-0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:263.0131401
Heavy Atom Count:16
Complexity:374

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)Cl
Isomeric SMILES:C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)Cl

Technology Process of 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)-

There total 8 articles about 2(1H)-Pyrimidinone, 4-amino-5-chloro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2R-cis)- 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:

: N-[5-Chloro-1-((2S,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-benzamide

: 137530-42-8,145986-27-2,145986-28-3,149819-52-3
(-)-(2S,5S)-5-chloro-1-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>cytosine

Guidance literature:: With ammonia; In methanol; Yield given; Ambient temperature;
DOI:10.1021/jm00070a006

Reference yield:

: N-[5-Chloro-1-((2S,5R)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-benzamide

: 137530-42-8,145986-27-2,145986-28-3,149819-52-3
(+)-(2S,5R)-5-chloro-1-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>cytosine

Guidance literature:: With ammonia; In methanol; Yield given; Ambient temperature;
DOI:10.1021/jm00070a006

Reference yield:

: 149819-39-6
(-)-(2S,5S)-5-chloro-1-<2-<<(tert-butyldiphenylsilyl)oxy>methyl>-1,3-oxathiolan-5-yl>-N₄-benzoylcytosine

: 137530-42-8,145986-27-2,145986-28-3,149819-52-3
(-)-(2S,5S)-5-chloro-1-<2-(hydroxymethyl)-1,3-oxathiolan-5-yl>cytosine

Guidance literature:: Multi-step reaction with 2 steps

1: tetra-n-butylammonium fluoride / tetrahydrofuran / 1 h / Ambient temperature

2: NH₃ (gas) / methanol / Ambient temperature

With tetrabutyl ammonium fluoride; ammonia; In tetrahydrofuran; methanol;
DOI:10.1021/jm00070a006