5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate

Basic Information

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CAS Number

9000-91-3

Molecular Formula

C31H27NO4

Molecular Weight

477.55 g/mol

EINECS

232-566-1

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 Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.37[at 20℃]

Water Solubility

125g/L at 25℃

Vapor Pressure

0.004Pa at 25℃

SMILES

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CCOC(=O)C1=C(NC(=C(C1C#Cc2ccccc2)C(=O)OCc3ccccc3)c4ccccc4)C

InChI

InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3

InChIKey

SNVFDPHQAOXWJZ-UHFFFAOYSA-N

LogP

-1.3 at 20℃

Complexity

915

Safety Information

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GHS Hazard Pictograms

H334

Hazard Statement

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Storage Conditions

2-8°C

RTECS

BU7435000

Synonyms & References

English

beta-Amylase
β-Amylase
beta-Amylase from Soybean
β-Amylase from Soybean
1,4-α-D-Glucan maltohydrolase
saccharogenamylase
Bioamylase
Biozyme C
Biozyme KL
Biozyme M
Biozyme M 2
Biozyme M5
Biozyme MD
Biozyme ML
2-Méthyl-6-phényl-4-(phényléthynyl)-1,4-dihydro-3,5-pyridinedicarboxylate de 5-benzyle et de 3-éthyle
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-methyl-6-phenyl-4-(2-phenylethynyl)-, 3-ethyl 5-(phenylmethyl) ester
3-Ethyl-5-benzyl-2-methyl-4-phenylethynyl-6-phenyl-1,4-(±)-dihydropyridine-3,5-dicarboxylate
5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate
5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
5-Benzyl-3-ethyl-2-methyl-6-phenyl-4-(phenylethinyl)-1,4-dihydro-3,5-pyridindicarboxylat
MRS 1191
MRS1191
3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
3-benzyl 5-ethyl 6-methyl-2-phenyl-4-(phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
AC1L96H1
AGN-PC-0JQ4T3
Burtonitte 44
Caseins
CHEMBL1995014
CHEMBL89852

MDL Number

MFCD00081391

EC Number

232-566-1

Customs Code

35079090

FAQ

What are the physical and chemical properties of 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 9000-91-3)?

5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate is a crystalline compound with a molecular weight of approximately 424.47 g/mol. It has a limited solubility in common organic solvents and is reactive towards nucleophiles and bases. It can undergo electrophilic aromatic substitution and addition reactions.

How is 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 9000-91-3) typically synthesized?

5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate is typically synthesized via a multi-step process involving the protection of the phenyl group, introduction of the ethynyl group, and subsequent deprotection. Commonly, Suzuki coupling and Buchwald-Hartwig amination are used as key steps.

What industries use 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 9000-91-3)?

This compound is used in the pharmaceutical industry for the synthesis of novel drug candidates, in polymer chemistry for the development of functional polymers, and in the semiconductor industry for the production of materials with specific electronic properties. It also finds applications in the preparation of sensors and other advanced materials.

What precautions should be taken when handling 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate (CAS: 9000-91-3)?

When handling 5-Benzyl 3-ethyl 2-methyl-6-phenyl-4-(phenylethynyl)-1,4-dihydro-3,5-pyridinedicarboxylate, ensure the use of appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood. Keep the compound away from sources of heat and light. In case of spill, follow standard laboratory safety procedures and refer to the Safety Data Sheet (SDS) for detailed instructions.