This document provides information about N4-Benzoylcytosine, including its chemical formula, synonyms, export data from China from 2018-2019, physical and chemical properties, safety information, uses as an intermediate in antitumor and antiviral drugs, production methods using benzoyl chloride or benzoic anhydride, and required starting materials. Exports of N4-Benzoylcytosine from China totaled 35,610,569KG valued at $1,117,619,760 from 2018-2019, with the highest monthly export volume in March 2019. It is a white or almost white crystalline powder used to produce intermediates for antitumor and antiviral drugs.

1. CAS No:26661-13-2
Formula:C11H9N3O2
Synonyms:Benzamide,
N-(2,3-dihydro-2-oxo-4-pyrimidinyl)-;N4-Benzoylcytosine;N4-Benzoylcytosine ≥ 99%
(HPLC);LABOTEST-BB
LT00138031;N-(2-Oxo-3H-pyrimidin-4-yl)benzamide;n-(2-oxo-1,2-dihydro-4-pyrimidinyl)benzamid
e;N4-BENZOYLCYTOSINE;N-Benzoylcytosine
China Export:From 2018.11 to 2019.11, total export volume of N4-Benzoylcytosine from China
was 35,610,569KG while total export value was $1,117,619,760. The biggest proportion of
exporting volume in the last 12 months was 11.77% in 2019.03.
Echemi Chemical Products N4-Benzoylcytosine Description
White or almost white crystalline powder
Echemi Chemical Products N4-Benzoylcytosine Basic Attributes
CAS No：26661-13-2
Molecular Formula ：C11H9N3O2
Molecular Mass ：215.21
Exact Mass ：215.069473
PSA ：70.6 A^2
LogP ：0.3
EINECS ：1308068-626-2
InChIKeys ：XBDUZBHKKUFFRH-UHFFFAOYSA-N
H-bond Acceptor ：2
H-bond Donor ：2
SP3 ：0.00
RBN ：2
Echemi Chemical Products N4-Benzoylcytosine Characteristics
Density ：1.3±0.1 g/cm3
Melting Point ：>300 °C (dec.)(lit.)

2. Refractive Index ：1.652
Echemi Chemical Products N4-Benzoylcytosine Safety Information
HS Code ：29335990
UN No. ：NONH for all modes of transport
WGK_Germany ：3
Risk Code ：20/22-36/37/38
Safety Instructions ：26-36
Dangerous Mark ：Xi
P Code ：P261-P305 + P351 + P338
Hazard Statements ：H302-H315-H319-H332-H335
Echemi Chemical Products N4-Benzoylcytosine Product Usage
Antitumor and antiviral drug intermediates, Sofibuvir intermediates
Echemi Chemical Products N4-Benzoylcytosine Production Methods
Reactor after the replacement of nitrogen, adding 100L acetonitrile, 22 kg (196mol) no water
cytosine, 25gDMAP, 24 kg triethylamine, in 5-8 °C lower, slowly dropping 34 kg benzoyl chloride,
after dripping, natural to room temperature, in the 25 ° C stirring for one hour, then slowly
heated to 40-45 °C insulation two hours, then cooling down to room temperature, filter press,
the filtrate collected after acetonitrile 60L recycling, the filter cake with water and ethanol

3. washing, drying to obtain the kind of white solid 40 kg, liquid phase content is
99.2percent.Reactor after the replacement of nitrogen, adding 200L acetonitrile, 22 kg (196mol)
no water cytosine, 50gDMAP, 28 kg triethylamine, in 5-10 ° C lower, slowly dropping 96 kg
(benzoic anhydride solution: 50 wt percent) acetonitrile solution of benzoic anhydride, after
dripping, natural to room temperature, in the 25 °C stirring for one hour, then slowly heated to
45-50 ° C thermal insulation 2 hours, then reduced to room temperature, filter press, the
filtrate collected after acetonitrile 132L recycling, the filter cake is washed with water and
ethanol, dried to obtain a white solid 41 kg, liquid phase content of 99.14percent.EXAMPLE 19
Echemi Chemical Products N4-Benzoylcytosine Material and Products
Material ：
Benzoic Anhydride, Urea, Disulfuric Acid, Hydroxylamine hydrochloride, Sulfuric Acid, Urea
Hydrochloride, Acetonitrile, Sodium, Malonaldehydebis(diethylacetal), Butanol,
4-Dimethylaminopyridine, Benzoyl Chloride, Cytosine, Diethylsulfate