Tert-butyl (5-bromopyrimidin-2-YL)carbamate

Basic Information

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CAS Number

883231-23-0

Molecular Formula

C9H12BrN3O2

Molecular Weight

274.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC1=NC=C(C=N1)Br

InChI

InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-7-11-4-6(10)5-12-7/h4-5H,1-3H3,(H,11,12,13,14)

InChIKey

MQQCCIJHZDEZBW-UHFFFAOYSA-N

LogP

2.5861

Topological Polar Surface Area

64.11 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

222

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

N-Boc-2-Amino-5-bromopyrimidine
(5-Bromopyrimidin-2-yl)tert-butylcarbamate
[2-[(tert-Butoxycarbonyl)amino]pyrimidin-5-yl]boronic acid
t-Butyl 5-bromopyrimidin-2-ylcarbamate
tert-Butyl (5-bromopyrimidin-2-yl)carbamate
tert-butyl N-(5-bromopyrimidin-2-yl)carbamate
2-(N-BOC-AMino)-5-broMopyriMidine
tert-butyl (5-bromo-2-pyrimidinyl)carbamate(SALTDATA: FREE)
(5-Bromo-pyrimidin-2-yl)-carbamic acid tert-butyl ester
MQQCCIJHZDEZBW-UHFFFAOYSA-N
FCH1624820
tert-Butyl 5-bromopyrimidin-2-ylcarbamate
AX8217718
ST24048522
1,1-Dimethylethyl N-(5-bromo-2-pyrimidinyl)carbamate (ACI)
Carbamic acid, (5-bromo-2-pyrimidinyl)-, 1,1-dimethylethyl ester (9CI)
883231-23-0
MFCD13188600
2-(N-BOC-Amino)-5-bromopyrimidine
AKOS015838243
F20486
DS-12768
CS-W007068
TERT-BUTYL (5-BROMOPYRIMIDIN-2-YL)CARBAMATE
tert-Butyl (5-bromo-2-pyrimidinyl)carbamate
EN300-1877906
SY105495
5-Bromo-N-Boc-Pyrimidin-2-Amine
DTXSID40595026
SCHEMBL15635115

MDL Number

MFCD13188600

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Tert-butyl (5-bromopyrimidin-2-YL)carbamate (CAS: 883231-23-0)?

Tert-butyl (5-bromopyrimidin-2-YL)carbamate is a white crystalline solid with a molecular weight of approximately 260.04 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is thermally stable but may react with strong bases or acids. It shows moderate reactivity towards nucleophiles, making it a suitable reactant in various organic synthesis reactions.

How is Tert-butyl (5-bromopyrimidin-2-YL)carbamate (CAS: 883231-23-0) typically synthesized?

Tert-butyl (5-bromopyrimidin-2-YL)carbamate is synthesized through the reaction of tert-butyl carbamate with 5-bromo-2-formamidopyrimidine in the presence of a suitable catalyst, such as sodium carbonate. The reaction typically yields high selectivity and a good yield, making it a reliable method for obtaining this compound in organic synthesis.

What industries use Tert-butyl (5-bromopyrimidin-2-YL)carbamate (CAS: 883231-23-0)?

Tert-butyl (5-bromopyrimidin-2-YL)carbamate is primarily used in the pharmaceutical industry for the synthesis of drugs. It also finds applications in the agrochemical industry as a precursor for herbicides and pesticides. Additionally, it is used in the research and development of new materials, particularly in the field of polymer science.

What precautions should be taken when handling Tert-butyl (5-bromopyrimidin-2-YL)carbamate (CAS: 883231-23-0)?

When handling Tert-butyl (5-bromopyrimidin-2-YL)carbamate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dark place away from direct sunlight. It is advisable to use a fume hood during handling to minimize exposure to vapors. In case of spillage, immediately clean up the area and consult the safety data sheet (SDS) for further instructions.