N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1)

Basic Information

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CAS Number

124935-89-3

Molecular Formula

C27H37NO5

Molecular Weight

455.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

586 °C at 760 mmHg

Density

0.97

Flash Point

308.2 °C

Refractive Index

1.528

SMILES

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CC1=CC(=C(C=C1)OC)C(CCN(C(C)C)C(C)C)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C23H33NO.C4H4O4/c1-17(2)24(18(3)4)14-10-13-21-15-19(5)16-22(23(21)25-6)20-11-8-7-9-12-20;5-3(6)1-2-4(7)8/h7-9,11-12,15-18H,10,13-14H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

DAFIRPRRSLNPBO-WLHGVMLRSA-N

LogP

5.433820000000004

Topological Polar Surface Area

87.07000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

472

Synonyms & References

English

(E)-but-2-enedioic acid;3-(2-methoxy-5-methylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
N,N-Diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropan-1-amine fumarate
rac O-Methyl Tolterodine Fumarate
124935-88-2
J-005181
1240303-69-8
but-2-enedioate; N,N-diisopropyl-3-(2-methoxy-5-methyl-phenyl)-3-phenyl-propan-1-amine
AC-570
AKOS015961937
(2E)-but-2-enedioic acid; [3-(2-methoxy-5-methylphenyl)-3-phenylpropyl]bis(propan-2-yl)amine
2-?Methoxy-?5-?methyl-?N,?N-?bis(1-?methylethyl)?-?Gamma-?phenyl-?benzenepropanamine (2E)?-?2-Butenedioate
2-methoxy-5-methyl-n,n-bis(1-methylethyl)-y-phenylbenzenepropanamine fumarate
Benzenepropanamine, 2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenyl-, (2E)-2-butenedioate (1:1)
SCHEMBL1261695
124935-89-3
2-methoxy-5-methyl-N,N-Bis(1-methylethyl)-gamma-phenylbenzenepropanamine fuamrate
2-methoxy-5-methyl-n,n'-bis-(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate
2-methoxy-5-methyl-n,n-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate
SCHEMBL1261697
2-methoxy-5-methyl-n,n'-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate
A805319
2-METHOXY-5-METHYL-N-N-BIS(1-METHYLETHYL)-gama-PHENYLBENZENEPROPANAMINE FUMARATE FORM
2-methoxy-5-methyl-n,n-bis(1-methylethyl)-3-phenylbenzenepropanamine fumarate
2-methoxy-5-methyl-N,N-bis(1-methylethyl)-gamma-phenylbenzenepropanamine fumarate
Tolterodine Intermediate Ⅰ
2-Methoxy-5-Methyl-N,N-Bis(1-Methylethyl)-Gama-Phenyl-Benzenepropanamine Fumarate
2-Methoxy-5-methyl-N,N-bis(1-methylethyl)--phenylbenzeneprop
N,N-diisopropyl-[3-(2-methoxy-5-methylphenyl)-3-phenylpropyl]-amine fumarate
N-diisopropyl-3-(2-methoxy-5-methylphenyl)-3-phenylpropanamine hydrogen fumarate
Tolterodine Fumarate
Tolterodine Fumarate Tolterodine Fumarate

MDL Number

MFCD08061834

FAQ

What are the physical and chemical properties of N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) (CAS: 124935-89-3)?

N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) is a crystalline solid with a molecular weight of approximately 521.4 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound shows moderate reactivity, particularly in acidic conditions. It can undergo ring-opening reactions and protonation/deprotonation reactions.

How is N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) (CAS: 124935-89-3) typically synthesized?

N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) can be synthesized via a multi-step process involving the synthesis of the diisopropylamine derivative, followed by the coupling reaction with the (2E)-2-butenedioic acid derivative. The reaction typically involves a transition metal catalyst and is carried out in a solvent such as dichloromethane or tetrahydrofuran.

What industries use N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) (CAS: 124935-89-3)?

N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also has applications in the polymer industry for modifying polymer properties, in the sensor industry for gas detection, and in the semiconductor industry for specific chemical processing steps.

What precautions should be taken when handling N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1) (CAS: 124935-89-3)?

When handling N,N-Diisopropyl-3-(2-methoxy-5-methyl-3-biphenylyl)-1-propanamine (2E)-2-butenedioate (1:1), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be handled in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate methods and materials. It is recommended to consult the Safety Data Sheet (SDS) for detailed safety information.