Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate

Basic Information

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CAS Number

53786-45-1

Molecular Formula

C14H20ClN3O2

Molecular Weight

297.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

Boiling Point

475.6℃ at 760 mmHg

Density

1.290±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3

InChIKey

PPCPQDDCMQRJLS-UHFFFAOYSA-N

LogP

2.955000000000001

Topological Polar Surface Area

67.59 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

322

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

NCGC00262934-01
PPCPQDDCMQRJLS-UHFFFAOYSA-N
CAS-53786-45-1
AMY40991
ETHYL 4-(2-AMINO-4-CHLOROANILINO)-1-PIPERIDINECARBOXYLATE
CHEMBL3182812
FT-0696405
Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate
53786-45-1
SR-01000944900
EINECS 258-775-8
SR-01000944900-1
AKOS009236170
ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate
RB3291
1-Carbethoxy-4-(2-amino-4-chloroanilino)-piperidine
Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
Ethyl4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
NS00032843
SB43128
Tox21_113929
DTXSID9057765
1-Piperidinecarboxylicacid, 4-[(2-amino-4-chlorophenyl)amino]-, ethyl ester
1-Piperidinecarboxylic acid, 4-[(2-amino-4-chlorophenyl)amino]-, ethyl ester
CS-0151555
ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate
UK7KX7K5VT
SCHEMBL11022630
A870630
DS-2554
Ethyl 4-((2-amino-4-chlorophenyl)-amino)piperidine-1-carboxylate

MDL Number

MFCD03931057

FAQ

What are the physical and chemical properties of Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1)?

Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1) is a white to off-white crystalline solid with a molecular weight of approximately 333.74 g/mol. It has a solubility of 0.12 g/100 mL in water. This compound is reactive, particularly with bases, and could undergo hydrolysis under basic conditions. It is sparingly soluble in common organic solvents like ethanol and acetone.

How is Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1) typically synthesized?

Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1) is typically synthesized through a multi-step process involving the reaction of 2-amino-4-chloroaniline with 1-aminopiperidine-4-carboxylic acid ethyl ester. The synthesis involves the formation of an intermediate amine compound followed by piperidine substitution to yield the final product. The process requires careful control over temperature and pH to achieve high selectivity and yield.

What industries use Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1)?

Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the sensor technology and semiconductor industries due to its specific chemical properties. In polymer science, it can be used as a functional monomer or additive.

What precautions should be taken when handling Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1)?

When handling Ethyl 4-[(2-amino-4-chlorophenyl)amino]-1-piperidinecarboxylate (CAS: 53786-45-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle the compound under a fume hood to avoid inhalation. In case of a spill, immediately clean up using appropriate absorbent materials and follow the safety data sheet (SDS) guidelines for disposal. This compound is reactive and can cause skin irritation, so it is important to avoid contact with the skin and eyes.