(2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione

Basic Information

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CAS Number

126-07-8

Molecular Formula

C17H17ClO6

Molecular Weight

352.77 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

218.0 to 222.0 deg-C

Boiling Point

527.9°C at 760 mmHg

Refractive Index

1.4429 (estimate)

Specific Rotation

354 º (c=1, dimethylform)

SMILES

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C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC

InChI

InChI=1S/C17H17ClO6/c1-8-5-9(19)6-12(23-4)17(8)16(20)13-10(21-2)7-11(22-3)14(18)15(13)24-17/h6-8H,5H2,1-4H3/t8-,17+/m1/s1

InChIKey

DDUHZTYCFQRHIY-RBHXEPJQSA-N

LogP

2.8103000000000007

Topological Polar Surface Area

71.06000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

575

Safety Information

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GHS Hazard Pictograms

H317

H351

H360

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

Griseofulvin
(+)-GRISEOFULVIN
[2S-TRANS]-7-CHLORO-2,4,6-TRIMETHOXY-6'-METHYLSPIRO[BENZOFURAN-2(3H), 1'(2)-CYCLOHEXANE]-3,4'-DIONE
(2S)-TRANS-7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYLSPIRO(BENZOFURAN-2[3H],1'-[2]CYCLOHEXENE)-3,4'-DIONE
7-CHLORO-2',4,6-TRIMETHOXY-6'-METHYL-, (1'S-TRANS)-SPIRO(BENZOFURAN-2(3H),1'-(2)CYCLOHEXENE)-3,4'-DIONE
(+)-griseofulvi
(2s-trans)-7-chloro-2',4,6-trimethoxy-6'-methylspiro[benzofuran-2(3h),1'-[2]cy
(2s-trans)-xy-6'-methyl
GRISEOFULVIN(RG)
Griseofulvine
(1’S,6’R)-7-chloro-2’,4,6-trimethoxy-6’-methylspiro[benzofuran-2(3H),1’-[2]cyclohexene]-3,4’-dione
(1’S-trans)- 7-chloro-2’,4,6-trimethoxy-6’-methylspiro[benzofuran-2(3H),1’-cyclohex-2’-ene]-3,4’-dione
(2S,5'R)-7-chloro-3',4,6-trimethoxy-5'-methylspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione
7-chloro-4,6-dimethoxycoumaran-3-one-2-spiro-1’-(2’-methoxy-6’-methylcyclohex-2’-en-4’-one)
Amudane
Curling factor
Fulcin
Fulvicin
Grifulvin
Grifulvin V
Grisact
Griseofulvin Permeability Diameter
Gris-PEG
(2S)-trans-7-Chloro-2′,4,6-trimethoxy-6′-methylspiro(benzofuran-2[3H],1′-[2]cyclohexene)-3,4′-dione
Gricin
Griseo
Grysio
Poncyl
Fulcine
Fulvina
Greosin

MDL Number

MFCD00082343

FAQ

What is (2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione (CAS: 126-07-8)?

This compound, with the CAS number 126-07-8, is a complex organic molecule featuring a spiro[1-benzofuran-2,1'-cyclohex[2]ene] framework. Its structure includes multiple methoxy (-OCH3) groups, a chloro (-Cl) substituent, and two ketone (C=O) functionalities. It is typically a solid with high molecular complexity, often used in specialized research and pharmaceutical applications due to its potential bioactivity and functional group versatility.

What are the main uses of (2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione (CAS: 126-07-8)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development, particularly in antifungal and antitumor studies. It also serves as an intermediate in organic synthesis and is studied for its chemical reactivity and structural properties in academic and industrial laboratories.

Is (2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione (CAS: 126-07-8) safe?

Safety of this compound depends on handling and exposure conditions. It may exhibit toxicity if ingested or inhaled, necessitating protective measures like gloves, goggles, and ventilation. Always follow OSHA and EPA guidelines for chemical safety. Proper disposal and adherence to lab protocols are essential to minimize risks.

How should (2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione (CAS: 126-07-8) be stored?

Store this compound in a cool, dry, and dark place (ideally 2-8°C) to prevent degradation. Use a sealed, airtight container to avoid moisture exposure. Protect from light using amber glass or aluminum containers. Maintain stable conditions to ensure chemical integrity and safety during storage.