5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid

Basic Information

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CAS Number

891782-63-1

Molecular Formula

C10H13N3O4

Molecular Weight

239.23 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

Basic Physical Properties

Boiling Point

363.2±42.0°C at 760 mmHg

Density

1.348±0.06 g/cm3 (20 ºC 760 Torr)

SMILES

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CC(C)(C)OC(=O)NC1=NC=C(N=C1)C(=O)O

InChI

InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)13-7-5-11-6(4-12-7)8(14)15/h4-5H,1-3H3,(H,14,15)(H,12,13,16)

InChIKey

MOLNWRVQKCBISZ-UHFFFAOYSA-N

LogP

1.5217999999999998

Topological Polar Surface Area

101.41000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

300

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

5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid
2-Pyrazinecarboxylicacid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazine-2-carboxylic acid
5-{[(tert-Butoxy)carbonyl]amino}-pyrazine-2-carboxylic acid
5-Boc-amino-pyrazine-2-carboxylic acid
5-(tert-butoxycarbonylamino)pyrazine-2-carboxylic acid
QC-273
5-{[(tert-butoxy)carbonyl]amino}pyrazine-2-carboxylic acid
5-[(tert-butoxycarbonyl)amino]pyrazine-2-carboxylic acid
KM2801
5679AH
AB45222
5-(Boc-amino)pyrazine-2-carboxylic acid
AK141998
ST2405985
BB 0260
5-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-pyrazinecarboxylic acid (ACI)
s11022
DTXSID70680510
DS-7471
5-boc-aminopyrazine-2-carboxylic acid
5-BOC-AMINO-PYRAZINE-2-CARBOXYLIC ACID
EN300-131587
AKOS015957555
SY102718
Z1095350206
891782-63-1
5-tert-Butoxycarbonylamino-pyrazine-2-carboxylic acid
SCHEMBL8815572
F2196-0038
5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylicacid

MDL Number

MFCD08437666

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid (CAS: 891782-63-1)?

5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid is a solid at room temperature, with a molecular weight of approximately 287.29 g/mol. It has a low solubility in water but is more soluble in organic solvents like DMSO and DMF. The compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It crystallizes in orthorhombic form and is stable under normal laboratory conditions.

How is 5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid (CAS: 891782-63-1) typically synthesized?

5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid is commonly synthesized via the condensation of 5-amino-2-pyrazinecarboxylic acid with tert-butoxycarbonyl chloride in the presence of a base like triethylamine. The reaction typically provides good yield (70-80%) and can be performed in dimethylformamide (DMF) as a solvent. The synthesis involves careful control of reaction conditions to achieve the desired regioisomer.

What industries use 5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid (CAS: 891782-63-1)?

5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid finds applications in the pharmaceutical industry due to its potential as a precursor in drug synthesis. It is also utilized in the polymer industry for modifying polymer structures. Additionally, it has been explored in the semiconductor industry for use in organic electronic devices and sensors.

What precautions should be taken when handling 5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid (CAS: 891782-63-1)?

When handling 5-((tert-Butoxycarbonyl)amino)pyrazine-2-carboxylic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation of dust. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.