2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

Basic Information

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CAS Number

70516-41-5

Molecular Formula

C34H34N2O3

Molecular Weight

518.66 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

166-168 ºC

Boiling Point

518.7°C at 760 mmHg

Density

1.25±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

267.5°C

Solubility

Insuluble (8.8E-8 g/L) (25 ºC),

Refractive Index

1.6

SMILES

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CCN(CCC(C)C)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C

InChI

InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3

InChIKey

HUSIBQLZEMMTCQ-UHFFFAOYSA-N

LogP

8.179020000000007

Topological Polar Surface Area

50.8 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

842

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

6'-(ethyl-(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
NS00003007
CS-0152023
EINECS 274-641-1
6'-(N-Isoamyl-N-ethylamino)-3'-methyl-2'-phenylaminofluoran
DTXSID90867922
2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
Z9ZL7M98QS
DS-19361
FT-0658070
EC 274-641-1
S-205
D97384
2'-Anilino-6'-(ethyl(3-methylbutyl)amino)-3'-methylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
C34H34N2O3
AKOS015896394
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-
2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran
2-anilino-3-methyl-6-(N-ethyl-N-isopentylamino)fluoran
W-111418
2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
6'-(Ethyl(isopentyl)amino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
SCHEMBL1592338
UNII-Z9ZL7M98QS
3-(Ethylisoamylamino)-6-methyl-7-anilinofluoran
A836911
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(3-methylbutyl)amino)-3'-methyl-2'-(phenylamino)-
MFCD11044531
70516-41-5
6'-(ETHYL(3-METHYLBUTYL)AMINO)-3'-METHYL-2'-(PHENYLAMINO)SPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-3-ONE
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-

MDL Number

MFCD11044531

FAQ

What is 2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 70516-41-5)?

2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is a complex organic compound with a spiro structure. It is characterized by its unique aromatic and heterocyclic framework, which contributes to its specific chemical properties. This compound is often used in pharmaceutical research for its potential biological activities.

What are the main uses of 2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 70516-41-5)?

2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is primarily used in pharmaceutical research as a precursor or intermediate for synthesizing bioactive compounds. It can also be used in academic and industrial chemistry for developing new drug candidates.

Is 2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 70516-41-5) safe?

2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 70516-41-5) is generally safe when handled with appropriate precautions. However, it should be stored away from heat and direct sunlight. Proper personal protective equipment (PPE) should be worn during handling to prevent skin contact and inhalation. Ensure adequate ventilation in the work area.

How should 2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 70516-41-5) be stored?

2'-Anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one should be stored in a cool, dry place away from direct heat and sunlight. It should be kept in a tightly sealed container to prevent moisture absorption. The container should be stored in a well-ventilated area to avoid the risk of fire or explosion due to its chemical composition.