2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate

Basic Information

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CAS Number

171178-45-3

Molecular Formula

C10H13ClN2O2

Molecular Weight

228.68 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

127-129°C

Boiling Point

283.7°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)

InChIKey

IRHNQVINMHHEIO-UHFFFAOYSA-N

LogP

3.0820000000000016

Topological Polar Surface Area

51.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

228

Safety Information

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Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

tert-Butyl (6-chloropyridin-3-yl)carbamate
(6-Chloro-pyridin-3-yl)-carbamic acid tert-butyl ester
5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine
Tert-Butyl 6-chloropyridin-3-ylcarbamate
tert-butyl N-(6-chloropyridin-3-yl)carbamate
5-Boc-Amino-2-chloropyridine
N-Boc-6-chloro-3-pyridinamine
5-[N-(TERT-BUTOXYCARBONYL)AMINO]-2-CHLOR
5-tert-ButoxycarbonylaMino-2-chloropyridine
Carbamic acid, N-(6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
5-[N-(tert-Butoxycarbonyl)amino]-2-chloropyridine ,98%
(6-chloro-pyridin-3-yl)-carbamic acid, tert-butyl ester
Carbamic acid, (6-chloro-3-pyridinyl)-, 1,1-dimethylethyl ester
tert-butyl(6-chloropyridin-3-yl)carbamate
IRHNQVINMHHEIO-UHFFFAOYSA-N
Z

MDL Number

MFCD08062421

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate (CAS: 171178-45-3)?

2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate is a crystalline solid with a molecular weight of approximately 258.04 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and acetonitrile. This compound is reactive towards strong acids and bases and can undergo hydrolysis. It is stable under normal storage conditions but should be kept away from moisture and strong oxidizing agents.

How is 2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate (CAS: 171178-45-3) typically synthesized?

2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate is typically synthesized via the reaction of 2-methyl-2-propanol with 6-chloro-3-pyridinecarbamic acid. The reaction is catalyzed by a base such as potassium carbonate and proceeds under mild conditions. The yield is generally high, and the product is isolated by column chromatography.

What industries use 2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate (CAS: 171178-45-3)?

2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate is primarily used in the pharmaceutical industry for the production of various drugs. It is also used in the synthesis of certain agrochemicals and in the development of materials for sensors and semiconductors.

What precautions should be taken when handling 2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate (CAS: 171178-45-3)?

When handling 2-Methyl-2-propanyl (6-chloro-3-pyridinyl)carbamate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up with caution, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and safety information.