2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-

Base Information

Chemical Name:2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-
CAS No.:32659-31-7
Molecular Formula:C₉H₁₂ClN₃O₄
Molecular Weight:261.665
Hs Code.:
NSC Number:318799
DSSTox Substance ID:DTXSID10954363
ChEMBL ID:CHEMBL2357771
Mol file:32659-31-7.mol

Synonyms:5'-chloro-5'-deoxyarabinosylcytosine;5'-chloro-araC

Suppliers and Price of 2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-

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

TRC
DeoxyChlorocytarabine
25mg
$ 165.00

American Custom Chemicals Corporation
5'-CHLOROARABINOSYLCYTOSINE 95.00%
5MG
$ 503.49

Total 9 raw suppliers

Chemical Property of 2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-

Chemical Property:

Vapor Pressure:4.61E-13mmHg at 25°C
Boiling Point:521.7°Cat760mmHg
PKA:13.37±0.70(Predicted)
Flash Point:269.3°C
PSA：110.60000
Density:1.86g/cm³
LogP:-0.73530
XLogP3:-1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:261.0516336
Heavy Atom Count:17
Complexity:386

Purity/Quality:

97% ^*data from raw suppliers

DeoxyChlorocytarabine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CN(C(=O)N=C1N)C2C(C(C(O2)CCl)O)O
Uses Deoxy Chlorocytarabine is a lipophilic DNA synthesis inhibitor and has antileukemic activity.

Technology Process of 2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-

There total 4 articles about 2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)- 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: 83.5%

: 32659-29-3
<2R-(2α,3β,3aβ,9aβ)>-2-chloromethyl-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-6H-furo<2',3':4,5>oxazolo<3,2-a>pyrimidine hydrochloride

: 32659-31-7
4-Amino-1-(5-chloro-5-deoxy-β-D-arabinofuranosyl)pyrimidin-2-(1H)-one

Guidance literature:: With Dowex 1X₄(CO₃^(2-)); In water; for 1h; Ambient temperature;

Reference yield:

: 69260-61-3
5'-chloro-5'-deoxy-2',3'-O-sulphinylcytidine hydrochloride

: 32659-31-7
4-Amino-1-(5-chloro-5-deoxy-β-D-arabinofuranosyl)pyrimidin-2-(1H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / dimethylformamide / 0.75 h / 100 °C

2: 83.5 percent / Dowex 1X₄(CO₃^(2-)) / H₂O / 1 h / Ambient temperature

With Dowex 1X₄(CO₃^(2-)); In water; N,N-dimethyl-formamide;

Reference yield:

: 31652-78-5
5'-chloro-5'-deoxycytidine

: 32659-31-7
4-Amino-1-(5-chloro-5-deoxy-β-D-arabinofuranosyl)pyrimidin-2-(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / SOCl₂ / acetonitrile / 3 h

2: 78 percent / dimethylformamide / 0.75 h / 100 °C

3: 83.5 percent / Dowex 1X₄(CO₃^(2-)) / H₂O / 1 h / Ambient temperature

With thionyl chloride; Dowex 1X₄(CO₃^(2-)); In water; N,N-dimethyl-formamide; acetonitrile;