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4-Hydroxypyrimidine

4-Hydroxypyrimidine structure

CAS No:
4562-27-0
Formula:
C4H4N2O
Chemical Name:
4-Hydroxypyrimidine
Synonyms:
4(3H)-Pyrimidinone;4(1H)-Pyrimidinone;4-Pyrimidinol;4-Hydroxypyrimidine;4-Oxopyrimidine;Deaminoisocytosine;4-Pyrimidinone;4-Pyrimidone;4(3H)-Pyrimidone;3H-Pyrimidin-4-one;NSC 1575;NSC 157911;Pyrimidine-4-ol;1H-Pyrimidin-6-one;3,4-Dihydropyrimidin-4-one;542-27-8;176773-03-8
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light yellow crystalline

4-Hydroxypyrimidine Basic Attributes

Molecular Weight：

96.09

Exact Mass：

96.09

EC Number：

224-932-4

UNII：

K43V90OY4L

NSC Number：

157911|1575

DSSTox ID：

DTXSID5063524

HScode：

2933599090

Characteristics

PSA：

41.5

XLogP3：

-1.4

Appearance：

Solid

Density：

1.28

Melting Point：

200-201 °C @ Solvent: Ethanol

Boiling Point：

184.6°C at 760 mmHg

Flash Point：

91.2±19.8 °C

Refractive Index：

1.568

Water Solubility：

3.85 M

Storage Conditions：

2-8°C

Toxicity：

pic-esc 1 g/L ZAPOAK12,583,1972

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-40

safety instructions：

22-24/25-36-26

RTECS Number：

UW7350100

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-hydroxypyrimidine

4-Hydroxypyrimidine Use and Manufacturing

Methods of Manufacturing

A solution of bromine (1.0 mL, 20 mmol) in glacial acetic acid (10 mL) was added over 15 min via cannula to a solution of Chlorine was bubbled through a solution of The resulting reaction mixture is cooled and the resulting crystalline material is recovered by filtering, washed with diglyme and then twice with ether, dried in a high vacuum, dissolved in methylene chloride/methanol, filtered, concentrated on a steam bath and ether added to obtain 1-(4'-fluorobenzyl)-2-allylamino-pyrido 2, 3-d ...-amino complementary substituents. ... ... 2-keto-4-thioketo-pyrimidine and 2-amino-purine 2-thioketo-4-thioketo-pyrimidine and purine 2-keto-pyrimidine and 2-amino-6-thioketo-purine 4-thioketo-pyrimidine and 2-keto-purine Example 56; 4-[[2-(4-Pyrimidinyloxy)ethyl](2, 2, 2-trifluoroethyl)amino]-2- (trifluoromethyl)benzonitrile; Synthesized as described in Example 27B from 4-[(2-hydroxyethyl)(2, 2, 2- trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile (Example 15B) and 4(1 H)- pyrimidinone, using dry DME as the reaction solvent: MS (ESI) mlz 391 (M+1 ).

Manufacturing Info：

4(3H)-Pyrimidinone: INACTIVE

Computed Properties

Molecular Weight:96.09
XLogP3:-1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:96.032362755
Monoisotopic Mass:96.032362755
Topological Polar Surface Area:41.5
Heavy Atom Count:7
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4562-27-0

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Content: 99%

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