(+)-Nortrachelogenin

Basic Information

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CAS Number

61521-74-2

Molecular Formula

C20H22O7

Molecular Weight

374.39 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

Density

1.370±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)O)OC)O)O

InChI

InChI=1S/C20H22O7/c1-25-17-8-12(3-5-15(17)21)7-14-11-27-19(23)20(14,24)10-13-4-6-16(22)18(9-13)26-2/h3-6,8-9,14,21-22,24H,7,10-11H2,1-2H3/t14-,20-/m1/s1

InChIKey

ZITBJWXLODLDRH-JLTOFOAXSA-N

LogP

1.8042999999999998

Topological Polar Surface Area

105.45 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

513

Synonyms & References

English

(3R,4R)-4-hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
(+)-Nortrachelogenin
(3R,4R)-3-hydroxy-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one
[ "" ]
DA-48584
CS-0138773
HY-N3171A
G13051
2(3H)-FURANONE, DIHYDRO-3-HYDROXY-3,4-BIS((4-HYDROXY-3-METHOXYPHENYL)METHYL)-, (3R,4R)-
Wikstromol
UNII-5HG1T9G09U
5HG1T9G09U
MS-26048
(3R,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
(3R,4R)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one
Q27262210
CHEMBL453799
AKOS040762124
61521-74-2
(3R-cis)-Dihydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-3-hydroxy-2(3H)-furanone
2(3H)-Furanone, dihydro-3,4-bis((4-hydroxy-3-methoxyphenyl)methyl)-3-hydroxy-, (3R-cis)-
(3R,4R)-3-Hydroxy-3,4-bis-(4-hydroxy-3-methoxy-benzyl)-dihydro-furan-2-one

MDL Number

MFCD01725924

Customs Code

2932209090

FAQ

What are the physical and chemical properties of (+)-Nortrachelogenin (CAS: 61521-74-2)?

The physical form of (+)-Nortrachelogenin is a white crystalline powder. It has a molecular weight of 362.35 g/mol. This compound is moderately soluble in ethanol and acetone but insoluble in water. Chemically, it is stable at room temperature but can be reactive with strong acids or bases. It does not typically undergo spontaneous decomposition under normal laboratory conditions.

How is (+)-Nortrachelogenin (CAS: 61521-74-2) typically synthesized?

(+)-Nortrachelogenin can be synthesized through a series of stereo-selective reactions, including a key dihydroisocoumarin rearrangement. The synthesis typically involves the use of catalytic amounts of metal complexes and organic solvents. The overall yield is around 70%, with good selectivity for the desired enantiomer.

What industries use (+)-Nortrachelogenin (CAS: 61521-74-2)?

(+)-Nortrachelogenin is primarily used in the pharmaceutical industry for its potential as a natural product lead for drug development. It is also of interest in the chemical and polymer industry for its structural properties, though its specific applications in these areas are limited. It may also find use in sensor technology due to its unique chemical characteristics.

What precautions should be taken when handling (+)-Nortrachelogenin (CAS: 61521-74-2)?

When handling (+)-Nortrachelogenin, appropriate personal protective equipment (PPE) such as gloves and goggles should be worn. It should be stored in a cool, dry place away from strong acids and bases. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.