Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate

Basic Information

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CAS Number

147770-06-7

Molecular Formula

C29H40N2O4

Molecular Weight

480.65 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

Physical State

Powder

Melting Point

122-124 ºC

Boiling Point

664.1°C at 760 mmHg

Solubility

Insuluble (4.0E-3 g/L) (25 ºC),

SMILES

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CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)OCC

InChI

InChI=1S/C29H40N2O4/c1-5-34-27-19-22(14-15-24(27)29(33)35-6-2)20-28(32)30-25(18-21(3)4)23-12-8-9-13-26(23)31-16-10-7-11-17-31/h8-9,12-15,19,21,25H,5-7,10-11,16-18,20H2,1-4H3,(H,30,32)/t25-/m0/s1

InChIKey

FTCMVLQJMIXDSI-VWLOTQADSA-N

LogP

5.698400000000006

Topological Polar Surface Area

67.86999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

649

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

ethyl (S)-2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate
(S)-Repaglinide ethyl ester
UNII-3G7O9LRT91
ethyl (S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonylmethyl]benzoate
Ethyl(S)-2-ethoxy-4-[N-[1-(2-piperidinophenyl)-3-methyl-1-butyl]aminocarbonyl methyl]benzoate
147770-06-7
(s)-2-ethoxy-4-(2-(3-methyl-1-(2-(piperidin-1-yl)phenyl)butylamino)-2-oxoethyl)benzoic acid ethyl ester
3G7O9LRT91
C29H40N2O4
DTXSID30163798
ethyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
(+)-Ethyl 2-ethoxy-4-(((N-(1-(2-piperidinophenyl)-3-methyl-1-butyl)amino)carbonyl)methyl)benzoate
Repaglinide specified impurity D [EP]
(S)-Ethyl 2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
REPAGLINIDE IMPURITY D [EP IMPURITY]
Repaglinide Impurity
Ethyl 2-Ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl]amino]-2-oxoethyl]benzoate (Repaglinide Ethyl Ester)
BENZOIC ACID,2-ETHOXY-4-[2-[[(1S)-3-METHYL-1-[2-(1-PIPERIDINYL)PHENYL]BUTYL]AMINO]-2-OXOETHYL]-,ETHYL ESTER
Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonyl methyl]-benzoate
2-Ethoxy-4-(3-((S)-3-methy-1-(2-piperidin-1-yl-phenyl)-butylamino)-2-oxo-propyl)-benzoic acid ethyl ester
Repaglinide ethyl ester
Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]benzoate
F52837
(S)-Ethyl2-ethoxy-4-(2-((3-methyl-1-(2-(piperidin-1-yl)phenyl)butyl)amino)-2-oxoethyl)benzoate
Ethyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-amino carbonylmethyl]-benzoate
Benzoic acid, 2-ethoxy-4-[2-[[(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl]amino]-2-oxoethyl]-, ethyl ester
EC 604-604-0
FTCMVLQJMIXDSI-VWLOTQADSA-N
ethyl (S)-2-ethoxy-4-[N-{1-(2-piperidinophenyl)-3-methyl-1-butyl}-aminocarbonylmethyl]benzoate
AKOS015950800

MDL Number

MFCD12911752

FAQ

What are the physical and chemical properties of Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate (CAS: 147770-06-7)?

Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate is a crystalline compound with a molecular weight of approximately 505.55 g/mol. It has limited water solubility and good solubility in organic solvents such as ethanol and acetone. The compound is generally stable but can react under strongly acidic or basic conditions. It is an ester and may undergo hydrolysis in aqueous media.

How is Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate (CAS: 147770-06-7) typically synthesized?

Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate can be synthesized through a multi-step process involving aminolysis and esterification reactions. The key steps involve the coupling of a piperidine-substituted aromatic amine with an appropriate carboxylic acid derivative, followed by an esterification step using ethyl bromoacetate. This process typically yields a high purity product with good selectivity and moderate to high yield.

What industries use Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate (CAS: 147770-06-7)?

Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate is primarily used in the pharmaceutical industry due to its complex structure and potential biological activity. It may also be employed in the development of sensor applications and as a precursor in organic synthesis for specialized industries.

What precautions should be taken when handling Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate (CAS: 147770-06-7)?

When handling Ethyl 2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(1-piperidinyl)phenyl]butyl}amino)-2-oxoethyl]benzoate, it is important to use 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. Spills should be handled with care using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions to ensure safety and compliance with regulations.