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CAS

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100814-57-1

2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI) is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)

    Cas No: 100814-57-1

  • USD $ 1.9-2.9 / Gram

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  • 100814-57-1 Structure

  • Basic information

    1. Product Name: 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)
    2. Synonyms: 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)
    3. CAS NO:100814-57-1
    4. Molecular Formula: C4H6FN3O2
    5. Molecular Weight: 147.11
    6. EINECS: N/A
    7. Product Categories: HALIDE
    8. Mol File: 100814-57-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)(100814-57-1)
    11. EPA Substance Registry System: 2(1H)-Pyrimidinone,4-amino-5-fluoro-5,6-dihydro-6-hydroxy-,cis-(9CI)(100814-57-1)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 100814-57-1(Hazardous Substances Data)

100814-57-1 Usage

Chemical Class

Pyrimidinone

Heterocyclic compound

Yes

Contains

Pyrimidine ring

Contains

Fluorine atom

Contains

Amino group

Configuration

cis

Functional groups location

Same side of the molecule

Potential applications

Pharmaceuticals

Biological activity

Possible

Further research needed

Yes

Check Digit Verification of cas no

The CAS Registry Mumber 100814-57-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,8,1 and 4 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 100814-57:
(8*1)+(7*0)+(6*0)+(5*8)+(4*1)+(3*4)+(2*5)+(1*7)=81
81 % 10 = 1
So 100814-57-1 is a valid CAS Registry Number.

100814-57-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name (4R,5R)-5-Fluoro-4-hydroxy-6-imino-tetrahydro-pyrimidin-2-one

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:100814-57-1 SDS

100814-57-1Downstream Products

100814-57-1Relevant articles and documents

Glorination of Pyrimidines. Part 2. Mechanistic Aspects of the Reaction of Acetyl Hypofluorite with Uracil and Cytosine Derivatives

Visser, W. M. Gerard,Herder, E. Renella,Kanter, Frans J. J. de,Herscheid D. M. Jacobus

, p. 1203 - 1208 (2007/10/02)

The reaction of acetyl hypofluorite (AcOF) with uracil, cytosine, and some N-1-substituted derivatives dissolved in either acetic acid or water has been investigated.Analysis by radio-h.p.l.c., using (18)f as a tracer, and by (1)H n.m.r. revealed that a substituent at N-1 of uracil has a remarkable effect on the stability of the intermediate 6-acetoxy-5-fluoro-5,6-dihydrouracils.In addition, it was found that these cytosine adducts rapidly deaminate in water yielding their corresponding uracil analogues.

Mechanism and Stereochemistry of the luorination of Uracil and Cytosine Using Fluorine and Acetyl Hypofluorite

Visser, Gerard W. M.,Boele, Saskia,Halteren, Bert W. v.,Knops, Gertrudis H. J. N.,Herscheid, Jacobus D. M.,et al.

, p. 1466 - 1471 (2007/10/02)

The products of the reaction of CH3COOF and F2 with uracil and cytosine dissolved in acetic acid and water were studied by using 18F as a tracer.Apart from 5-fluorouracil (2) and the 5,5-difluoro adducts 5a and 5b, the 1H NMR spectra of the crude reaction mixture showed the presence of two geometric isomers of both 5- fluoro-6-acetoxy-5,6-dihydrouracil (3a, 4a) and 5-fluoro-6-hydroxy-5,6-dihydrouracil (3b, 4b).In the fluorination of cytosine, corresponding products were observed with the exception of the acetoxy adducts.For both reagents and for both substrates a radical-cation mechanism is proposed.The observed conversions of the acetoxy adducts of uracil are explained by an acylimine (iii) as an intermediary.

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