5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine

Basic Information

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CAS Number

19752-61-5

Molecular Formula

C12H19BrN2O2

Molecular Weight

303.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

58-61°C

Boiling Point

352°C at 760 mmHg

Density

1.267

Flash Point

166.7°C

Refractive Index

1.507

SMILES

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CC(C)(C)OC1=NC(=NC=C1Br)OC(C)(C)C

InChI

InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3

InChIKey

MAWUVEDTRZARNC-UHFFFAOYSA-N

LogP

3.593700000000002

Topological Polar Surface Area

44.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

248

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

MFCD01927527
AI-942/13331764
HMS2481F11
DTXSID20355988
BS-2030
FT-0746809
CHEMBL1472479
SY282846
HMS1590L09
5-bromo-2,4-bis(tert-butoxy)pyrimidine
5-Bromo-2,4-di(tert-butoxy)pyrimidine
C73758
SB58216
C12H19BrN2O2
5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
Pyrimidine,5-bromo-2,4-bis(1,1-dimethylethoxy)-
2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINE
SCHEMBL896479
Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-
MAWUVEDTRZARNC-UHFFFAOYSA-N
BCP09270
5-bromo-2,4-bis-(1,1-dimethylethoxy)pyrimidine
AKOS000320211
5-bromo-2,4-di-tert-butoxypyrimidine
SR-01000265021
A911415
19752-61-5
2,4-DI(TERT-BUTOXY)-5-BROMOPYRIMIDINE
SR-01000265021-1
MLS000066854
5-Bromo-2,4-bis[1,1-dimethylethoxy]pyrimidine

MDL Number

MFCD01927527

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine (CAS: 19752-61-5)?

5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine is a white crystalline solid with a molecular weight of approximately 350.26 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetone. The compound shows moderate reactivity towards nucleophiles and can be used in various chemical reactions. It is stable under normal conditions but should be stored in a dry place away from moisture.

How is 5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine (CAS: 19752-61-5) typically synthesized?

5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine is typically synthesized via the bromination of 2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine using a brominating agent like N-bromosuccinimide (NBS) and a suitable solvent such as acetonitrile. The reaction is monitored by TLC (thin-layer chromatography) and typically achieves a yield of around 70-80%. The use of a catalyst like azobisisobutyronitrile (AIBN) can enhance the selectivity and yield of the product.

What industries use 5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine (CAS: 19752-61-5)?

5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It is also used in the polymer industry to enhance the properties of certain polymers. Additionally, it has applications in the sensor industry for the development of chemical sensors and in the semiconductor industry for the production of electronic materials.

What precautions should be taken when handling 5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine (CAS: 19752-61-5)?

When handling 5-Bromo-2,4-bis[(2-methyl-2-propanyl)oxy]pyrimidine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbent materials and the area should be well ventilated. It is recommended to consult the Safety Data Sheet (SDS) for detailed handling and disposal guidelines.