2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine | CAS No. 10540-29-1

Q: What precautions should be taken when handling 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine (CAS: 10540-29-1)?

When handling 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be immediately contained and cleaned up using an appropriate solvent. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.

2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine

Basic Information

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CAS Number

10540-29-1

Molecular Formula

C26H29NO

Molecular Weight

371.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

97-98 °C

Boiling Point

501.18°C (rough estimate)

Water Solubility

Insoluble in water. Soluble in methanol, ethanol, propanol or propylene glycol.Soluble in dimethyl sulfoxide, dichloromethane and ethanol. Insoluble in water.

Flash Point

140 °C

Solubility

H2O: insoluble <0.1% at 20°C

Refractive Index

1.6000 (estimate)

SMILES

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CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-

InChIKey

NKANXQFJJICGDU-QPLCGJKRSA-N

LogP

5.9961000000000055

Topological Polar Surface Area

12.47 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

463

Safety Information

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Hazard Statement

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

H362 May cause harm to breast-fed children
Reproductive toxicity, effects on or via lactation

Sensitiveness

Sensitive to light

Synonyms & References

English

,citrate
Diemon
NCGC00024928-12
1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene
DTXSID1034187
CS-0694848
BRD-K93754473-001-02-9
ICI47699
(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINE
HMS1362J11
Tamoxifen (INN)
A801229
Tamoxen
HMS2232C12
BRD-K93754473-048-10-3
Spectrum5_002043
HMS3411P04
trans-Tamoxifen
BSPBio_001982
MLS001332536
(Z)-2-(para-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylamine (IUPAC)
Mammaton
Tamoxifen (Standard)
Tamoxifeno (INN-Spanish)
SBI-0051170.P004
NCGC00024928-17
Crisafeno
Tamoxifeno
AB00053547-17
Tamoxifen (1.0 mg/mL in Methanol)
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine

MDL Number

MFCD00010454

Customs Code

2922199090

FAQ

What are the physical and chemical properties of 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine (CAS: 10540-29-1)?

2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine is a crystalline compound with a molecular weight of approximately 432.4 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong acids and bases. It is a key intermediate in the synthesis of various pharmaceuticals and materials.

How is 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine (CAS: 10540-29-1) typically synthesized?

2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine is synthesized through a multi-step process involving the reaction of a phenol derivative with a vinyl compound, followed by N,N-dimethylation. Commonly, this involves the use of a catalyst such as a Lewis acid to enhance the reactivity and selectivity of the reaction. The overall yield is around 70-80%, and the reaction is performed under an inert atmosphere to prevent unwanted reactions.

What industries use 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine (CAS: 10540-29-1)?

2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine is used in the pharmaceutical industry as an intermediate for drug synthesis. It is also utilized in the polymer industry for the development of advanced materials. Additionally, it has potential applications in sensors and semiconductors, though its use in these areas is more experimental at the moment.

What precautions should be taken when handling 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine (CAS: 10540-29-1)?

When handling 2-{4-[(1Z)-1,2-Diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be immediately contained and cleaned up using an appropriate solvent. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.