(2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine

Basic Information

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CAS Number

78342-42-4

Molecular Formula

C9H16N2O2

Molecular Weight

184.24 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

Basic Physical Properties

Boiling Point

245.2°C at 760 mmHg

Density

1.028 g/mL at 20 °C

Specific Rotation

102 º (c=1%, EtOH)

SMILES

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CC(C)C1C(=NCC(=N1)OC)OC

InChI

InChI=1S/C9H16N2O2/c1-6(2)8-9(13-4)10-5-7(11-8)12-3/h6,8H,5H2,1-4H3/t8-/m0/s1

InChIKey

FCFWEOGTZZPCTO-QMMMGPOBSA-N

LogP

1.1143999999999998

Topological Polar Surface Area

43.18 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

234

Safety Information

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Hazard Statement

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

(2S)-3,6-dimethoxy-2-propan-2-yl-2,5-dihydropyrazine
79586-96-2
(2s)-2-isopropyl-3,6-dimethoxy-2,5-dihydropyrazine
AC-1374
A839401
(2S)-2,5-Dihydro-3,6-dimethoxy-2-(1-methylethyl)pyrazine
(2S)-(+)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISOPROPYLPYRAZINE
AM20090808
MFCD00066229
CHEMBL169371
(2S)-2,5-dihydro-3,6-dimethoxy-2-isopropylpyrazine
(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
(S)-2,5-DIHYDRO-3,6-DIMETHOXY-2-ISO-PROP
DS-12920
(2S)-2,5-Dihydro-2-isopropyl-3,6-dimethoxypyrazine
SCHEMBL369237
Pyrazine, 2,5-dihydro-3,6-dimethoxy-2-(1-methylethyl)-, (2S)-
W-203802
(S)-2,5-dihydro-3,6-dimethoxy-2-iso-propylpyrazine
(S)-2,5-dihydro-3,6-dimethoxy-2-isopropyl pyrazine
(3s)-3,6-dihydro-2,5-dimethoxy-3-(1-methylethyl) pyrazine
(S)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine, >=97.0% (GC)
DTXSID30999695
(S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine
CS-0008324
78342-42-4
AKOS015851530
FCFWEOGTZZPCTO-QMMMGPOBSA-N
(2S)-(+)-2,5-Dihydro-3,6-dimethoxy-2-isopropylpyrazine
(2S)-2,5-Dihydro-2-isopropyl-3,6-diMethoxypyrazine
2,4-DiMethyl-3-pentanone

MDL Number

MFCD00066229

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (CAS: 78342-42-4)?

(2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine is a white crystalline solid with a molecular weight of approximately 202.25 g/mol. It is soluble in organic solvents like methanol and ethanol but poorly soluble in water. It exhibits moderate reactivity towards nucleophiles. This compound has a low vapor pressure and is stable under normal conditions.

How is (2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (CAS: 78342-42-4) typically synthesized?

(2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine can be synthesized via a multistep process involving the condensation of isopropylamine with 3,6-dimethoxyacrolein, followed by reduction to the corresponding dihydropyrazine. The reaction typically requires a palladium catalyst and occurs under mild conditions, yielding a high purity product with good selectivity.

What industries use (2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (CAS: 78342-42-4)?

(2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine finds applications in the pharmaceutical industry as an intermediate in the synthesis of certain medications. It is also used in the sensor industry for its ability to detect specific gases due to its chemical reactivity. Additionally, it may be employed in the polymer industry for its potential as a modifier or functional group.

What precautions should be taken when handling (2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine (CAS: 78342-42-4)?

When handling (2S)-2-Isopropyl-3,6-dimethoxy-2,5-dihydropyrazine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be immediately cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific guidelines on handling and disposal.