methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate

Basic Information

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CAS Number

6859-01-4

Molecular Formula

C22H28N2O4

Molecular Weight

384.48 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

114 ºC

Density

1.23

Solubility

Methanol,Ethyl Acetate,DMSO

SMILES

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CCC1CN2CCC3(C2CC1C(=COC)C(=O)OC)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1

InChIKey

DAXYUDFNWXHGBE-VKCGGMIFSA-N

LogP

2.7002000000000006

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

663

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Isorhynchophylline
BDBM50531282
methyl (2E)-2-[(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxo-1,2,3',5',6',7',8',8'a-octahydro-2'H-spiro[indole-3,1'-indolizin]-7'-yl]-3-methoxyprop-2-enoate
7-Isorhyncophylline
39032-62-7
SPIRO(3H-INDOLE-3,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2,2',3',6',7',8',8'A-OCTAHYDRO-.ALPHA.-(METHOXYMETHYLENE)-2-OXO-, METHYL ESTER, (.ALPHA.E,1'S,6'R,7'S,8'AS)-
Isorhyncophylline
s9310
AS-75287
CCG-268459
6859-01-4
CHEBI:70071
1ST159053
ISORHYNCHOPHYLLINE (CONSTITUENT OF CAT'S CLAW)
HY-N0766
SPIRO(3H-INDOLE-3,1'(5'H)-INDOLIZINE)-7'-ACETIC ACID, 6'-ETHYL-1,2,2',3',6',7',8',8'A-OCTAHYDRO-alpha-(METHOXYMETHYLENE)-2-OXO-, METHYL ESTER, (alphaE,1'S,6'R,7'S,8'AS)-
Rel-methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate
MLS000728608
Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid,6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-a-(methoxymethylene)-2-oxo-,methyl ester, (aE,1'S,6'R,7'S,8'aS)-
CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-2-OXO-, METHYL ESTER, (16E,20alpha)-
Q-100013
AKOS025402306
CHEMBL480521
7F4P99KHLJ
Q27138409
CORYNOXAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-17-METHOXY-2-OXO-, METHYL ESTER, (16E,20.ALPHA.)-
CS-3805
SCHEMBL23259272
SMR000470794
Isorhychophylline
Corynoxan-16-carboxylic acid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E,20-alpha)-

MDL Number

MFCD22124712

FAQ

What are the physical and chemical properties of methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate (CAS: 6859-01-4)?

This compound is a colorless liquid with a molecular weight of approximately 386.5 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but shows varying reactivity depending on the functional groups present. The compound exhibits moderate reactivity towards nucleophiles and can undergo polymerization under certain conditions.

How is methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate (CAS: 6859-01-4) typically synthesized?

This compound is typically synthesized by a multi-step process involving the preparation of the indolizinone ring followed by introduction of the methoxy group and the acrylate functional group. Common catalysts include Lewis acids, and the reaction conditions are optimized for high yield and selectivity. The exact synthesis route may vary depending on the specific starting materials and the desired product purity.

What industries use methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate (CAS: 6859-01-4)?

This compound is used in various industries, particularly in pharmaceuticals for its potential bioactive properties. It may also find applications in the synthesis of other complex molecules, as a precursor in organic chemistry, and in the development of new materials like polymers and sensors. Its unique structural features make it suitable for a range of applications requiring specific chemical functionalities.

What precautions should be taken when handling methyl (E)-2-((3S,6'R,7'S,8a'S)-6'-ethyl-2-oxo-2',3',6',7',8',8a'-hexahydro-5'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate (CAS: 6859-01-4)?

When handling this compound, it is essential to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and followed by thorough rinsing. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.