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4,6-Dihydroxypyrimidine

4,6-Dihydroxypyrimidine structure

CAS No:
1193-24-4
Formula:
C4H4N2O2
Chemical Name:
4,6-Dihydroxypyrimidine
Synonyms:
4(3H)-Pyrimidinone,6-hydroxy-;4(1H)-Pyrimidinone,6-hydroxy-;4,6-Pyrimidinediol;6-Hydroxy-4(3H)-pyrimidinone;4,6-Dihydroxypyrimidine;NSC 22838;6-Hydroxypyrimidin-4(3H)-one;18337-68-3
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Light Yellow Powder

4,6-Dihydroxypyrimidine Basic Attributes

Molecular Weight：

112.09

Exact Mass：

112.09

BRN：

606433

EC Number：

214-772-3

UNII：

6L93V0S662

NSC Number：

22838

DSSTox ID：

DTXSID6025434

HScode：

29335995

Characteristics

PSA：

61.7

XLogP3：

-0.9

Appearance：

Yellow to orange Powder

Density：

1.4421 (rough estimate)

Melting Point：

>230 °C (decomp)

Boiling Point：

209.98°C (rough estimate)

Flash Point：

170.6±22.3 °C

Refractive Index：

1.4610 (estimate)

Water Solubility：

H2O: 2.5 g/L (20 º C)

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

UW7523000

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 82 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4,6-Dihydroxypyrimidine Use and Manufacturing

Methods of Manufacturing

80.0 g of dimethyl malonate and 60.0 g of formamide were mixed, At 100 excess sodium methoxide methanol solution was added, incubated for 1h, A mixture of 4, 6-dihydroxypyrimidine sodium salt was obtained; subsequently, the temperature was lowered to 70CConcentrate the methanol and add water to continue to concentrate; then add water to dissolve4, 6-dihydroxypyrimidine sodium salt mixture to form 4, 6-dihydroxypyrimidine reaction solution.The bipolar membrane was used to treat it until the pH of the bipolar membrane treatment solution was 9.0.The resulting bipolar membrane treatment solution was acidified with 131.9 g of 37percent strength by weight hydrochloric acid at 40 ° C, Acidified to a solution pH of 2.5, then the resulting acid solution was suction filtered and dried, 55.9 g of 4, 6-dihydroxypyrimidine product was obtained. After testing, the purity of the product was 98.2percentYield 82.1percent.

Uses

Used in the production of sulfamethoxine and other drugs

Manufacturing Info：

4(3H)-Pyrimidinone, 6-hydroxy-: INACTIVE

Computed Properties

Molecular Weight:112.09
XLogP3:-0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:112.027277375
Monoisotopic Mass:112.027277375
Topological Polar Surface Area:61.7
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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