2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine

What is 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine, cas no. 161599-46-8,a producer telling you the result.

CAS NO. 161599-46-8

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To begin with, let us tell you what is the basic information of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8 ?

Molecular Formula

C13H16FN3O6

Molecular Weight

329.281

Flash Point

212.3±31.5 °C

Boiling Point

427.4±55.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Melting Point

196-198?C

 

Like many stuff, it has many synonyms as follows

2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine

2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine

[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate

5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine

(2R,3R,4R,5R)-2-(4-Amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate

T6NVNJ DZ EF A- BT5OTJ COV1 DOV1 E1 &&Ribo-β-D Form

Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate

1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-4-imino-1,4-dihydro-2-pyrimidinol

2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine

2-Pyrimidinol, 1-(2,3-di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,4-dihydro-4-imino-

First, the chemical is very special, some technical indexes as below

Computational Chemistry Data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.7

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond receptors: 7

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecule polarity surface area: 121

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 605

10. Isotope atomic number: 0

11. Determine the number of atomic structure centers: 4

12. Number of uncertain atomic structure centers: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Second, the Synthetic Route we will recommend is the most important for your reference?

First, synthesis line of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8  as follows

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Method:

 

 

 

Third, what is the usage of  2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8    pleas see below

 

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Main Usage:

 

Used for the intermediates of pharmaceuticals and as an intermediate in organic synthesis

 

Other usages as below

 

Can be used for the synthsis of the chemical 5'-Deoxy-5-fluorocytidine ,Cas No.: 66335-38-4

 

Can be used for the synthsis of the chemical, N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide

Cas No.: 124012-42-6

Can be used for the synthsis of the chemical capecitabine,Cas No.:. 154361-50-9

Besides Safety Information of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8   is also important when handling it

 

Hazard Codes 

Xi

WGK Germany 

3

HSCode

2934999090

TSCA 

Yes

HazardClass 

IRRITANT

 

 

What is the appearance of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8?   Please see the picture of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8, below

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Specification of 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8, is below

Appearance: white to light-yellow powder.

Assay: 98 % min by HPLC

IR identity: conform

Water:0.5% max by K.F.

HNMR  picture of  2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine CAS NO. 161599-46-8   is as follows,

Reference of  Article cited for your reference below,

(1)

54918-13-7[(2R,3S,5R)-2-Cyano-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-ylOxolan-3-Yl] Acetate1,2-Dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-erythro-Pentofuranurononitrile 3-acetatebeta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 3-acetate

Compound CID: 150624

Neighbor Type: 2D+3D

Annotation Types Count: 1

(2)

3'-Azido-2',3'-dideoxy-5-fluorocytidine3'-N3-5-F-ddC87190-80-5CHEMBL1791028SCHEMBL15642936; ...

Compound CID: 451394

Neighbor Type: 2D+3D

Annotation Types Count: 4

(3)

Crystal Structure of 2′,3′-Di-O-Acetyl-5′-Deoxy-5-Fluorocytidine with N–H···(O,F) Proton Donor Bifurcated and (C,N)–H···O Bifurcated Acceptor Dual Three-Center Hydrogen Bond Configurations

Publication Name: Journal of Chemical Crystallography

Publication Date: 2008-11-08

DOI: 10.1007/s10870-008-9498-4