(2-{[(1-Chloroethoxy)carbonyl](methyl)amino}-3-pyridinyl)methyl N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate

Basic Information

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CAS Number

338990-31-1

Molecular Formula

C18H26ClN3O6

Molecular Weight

415.87 g/mol

EINECS

1592732-453-0

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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data avaiable

Melting Point

No data available

Boiling Point

507.3±50.0 °C(Predicted)

Density

1.254±0.06 g/cm3(Predicted)

Flash Point

260.6±30.1 °C

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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O=C(OCC1=CC=CN=C1N(C(OC(Cl)C)=O)C)CN(C(OC(C)(C)C)=O)C

InChI

InChI=1S/C18H26ClN3O6/c1-12(19)27-17(25)22(6)15-13(8-7-9-20-15)11-26-14(23)10-21(5)16(24)28-18(2,3)4/h7-9,12H,10-11H2,1-6H3

InChIKey

KXWGVTDANRDXRN-UHFFFAOYSA-N

LogP

3.149300000000002

pKa

2.50±0.10(Predicted)

Topological Polar Surface Area

98.26999999999998 Å²

Hydrogen Bond Donor/Acceptor

0 / 9

Complexity

554

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

Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl ester
(2-(((1-chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl N-(tert-butoxycarbonyl)-N-methylglycinate
N-methyl-N- (3-[((N-tert-butoxycarbonyl-N-methylamino) acetoxy) methyl] pyridin-2-yl) carbamic acid (1-chloroethyl) ester moxa Shaconazole side chain
1-diMethylethoxy)carbonyl]-N-Methyl [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl esterChemicalBook
Glycine, N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-, [2-[[(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methyl esterChemicalBook
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl]pyridin-2-yl)carbamic acid 1-chloroethyl ester
(2-(((1-chloroethoxy)carbonyl)(Methyl)aMino)pyridin-3-yl)Methyl 2-((tert-butoxycarbonyl)(Methyl)aMino)acetate
[N-methyl-N-3-((tert-butoxycarbonylmethylamino)acetoxymethyl)pyridin-2-yl]carbamic acid 1-chloroethyl ester
Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-, [2-[[(1-chloroethoxy)carbonyl]methylamino]-3-pyridinyl]methyl ester
(2-(((1-Chloroethoxy)carbonyl)(methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
N-Methyl-N-(3-[((N-tert-butoxycarbonyl-N-methylamino)acetoxy)methyl)pyridin-2-yl]carbamic acid 1-chloroethyl ester
AK323734
(2-(((1-chloroethoxy)carbonyl) (methyl)amino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino) acetate;
[2-[1-chloroethoxycarbonyl(methyl)amino]pyridin-3-yl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
(2-{[(1-chloroethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl 2-{[(tert-butoxy)carbonyl](methyl)amino}acetate
(2-(((1-chloroethoxy)carbo
CID 11281469
Glycine,N-[(1,1-diMethylethoxy)carbonyl]-N-Methyl-,[2-[[Chemicalbook(1-chloroethoxy)carbonyl]MethylaMino]-3-pyridinyl]Methylester

MDL Number

MFCD30184953

EC Number

1592732-453-0

FAQ

What are the physical and chemical properties of (2-{[(1-Chloroethoxy)carbonyl](methyl)amino}-3-pyridinyl)methyl N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate (CAS: 338990-31-1)?

The compound exhibits a crystalline form with a molecular weight of approximately 533.6 g/mol. It has a limited solubility in water but is soluble in organic solvents such as methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry and cool place to prevent degradation.

How is (2-{[(1-Chloroethoxy)carbonyl](methyl)amino}-3-pyridinyl)methyl N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate (CAS: 338990-31-1) typically synthesized?

This compound is typically synthesized via a multi-step process involving protected amino acid derivatives. Key steps include the preparation of the chloroethoxycarbonyl group, the amidation reaction, and the introduction of the pyridinyl methyl group. The synthesis involves the use of common catalysts and reagents. The overall yield is moderate, around 50-60%. Detailed procedures can be found in the literature.

What industries use (2-{[(1-Chloroethoxy)carbonyl](methyl)amino}-3-pyridinyl)methyl N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate (CAS: 338990-31-1)?

This compound is used in the pharmaceutical industry as an intermediate in the synthesis of complex molecules. It also finds applications in sensor technology, particularly in the development of specific chemical sensors. Additionally, it may be used in the synthesis of certain polymers and semiconductors, although its use in these areas is less common.

What precautions should be taken when handling (2-{[(1-Chloroethoxy)carbonyl](methyl)amino}-3-pyridinyl)methyl N-methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycinate (CAS: 338990-31-1)?

When handling this compound, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Use a fume hood to minimize exposure to vapors. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, dispose of the material according to the safety data sheet (SDS) and local regulations. Always refer to the SDS for detailed emergency procedures and storage recommendations.