Methyl 3-amino-6-iodo-2-pyrazinecarboxylate

Basic Information

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CAS Number

1458-16-8

Molecular Formula

C6H6IN3O2

Molecular Weight

279.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

Melting Point

200-202 ºC

SMILES

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COC(=O)C1=NC(=CN=C1N)I

InChI

InChI=1S/C6H6IN3O2/c1-12-6(11)4-5(8)9-2-3(7)10-4/h2H,1H3,(H2,8,9)

InChIKey

FDLARAKNPMCCKJ-UHFFFAOYSA-N

LogP

0.4500000000000002

Topological Polar Surface Area

78.1 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

178

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

Sensitiveness

Light Sensitive

Synonyms & References

English

3-AMINO-6-IODOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTER
C6H6IN3O2
PB10772
Methyl 3-amino-6-iodopyrazine-2-carboxylate
2-Pyrazinecarboxylic acid, 3-amino-6-iodo-, methyl ester
FDLARAKNPMCCKJ-UHFFFAOYSA-N
MFCD09909640
DTXSID10454772
AKOS015854560
DS-0295
EN300-260100
1458-16-8
Methyl3-amino-6-iodopyrazine-2-carboxylate
A808418
3-amino-6-iodo-pyrazine-2-carboxylic acid methyl ester
Methyl 3-amino-6-iodo-2-pyrazinecarboxylate
CS-0018938
SCHEMBL3003587
J-511674
FT-0645823
2-Pyrazinecarboxylicacid, 3-amino-6-iodo-, methyl ester
Methyl 3-aMino-6-iodopyra...
3-amino-6-iodopyrazine-2-carboxylate
RP29801
FCH1395533
ST1120859
AX8158451
AB0022342
W3184
Methyl 3-amino-6-iodo-2-pyrazinecarboxyl
methyl 3-amino-6-iodopyrazine-2-carboxylate

MDL Number

MFCD09909640

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8)?

Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8) is crystalline at room temperature. Its molecular weight is approximately 313.03 g/mol. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is moderately reactive towards nucleophiles and can undergo substitution reactions.

How is Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8) typically synthesized?

Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8) is typically synthesized via the condensation of methyl 3-amino-2-pyrazinecarboxylate with iodine in the presence of a base such as sodium hydride. The reaction is carried out in an aprotic solvent like dimethylformamide (DMF) at room temperature. The yield is generally 75-80%.

What industries use Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8)?

Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8) is used in the pharmaceutical and chemical industries for intermediate synthesis and potentially in the development of new drugs. It may also have applications in the polymer industry for specific additive formulations.

What precautions should be taken when handling Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8)?

When handling Methyl 3-amino-6-iodo-2-pyrazinecarboxylate (CAS: 1458-16-8), wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a fume hood. Store the compound in a cool, dry place away from direct sunlight. In case of spill, contact a supervisor and follow proper waste disposal procedures. Refer to the safety data sheet (SDS) for detailed information.