tert-Butyl 2-ethynylbenzylcarbamate

Basic Information

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CAS Number

1097731-47-9

Molecular Formula

C14H17NO2

Molecular Weight

221.3 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NCC1=CC=CC=C1C#C

InChI

InChI=1S/C14H17NO2/c1-5-11-8-6-7-9-12(11)10-15-13(16)17-14(2,3)4/h1,6-9H,10H2,2-4H3,(H,15,16)

InChIKey

RSZRTXWCUFDWLA-UHFFFAOYSA-N

LogP

3.0197200000000013

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

308

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

tert-Butyl 2-ethynylbenzylcarbamate
tert-butyl N-[(2-ethynylphenyl)methyl]carbamate
AK138402
FCH1664343
AX8260005
ST2407644
tert-Butyl [(2-ethynylphenyl)methyl]carbamate
J3.629.953C
N-(2-Ethynylbenzyl)carbamic acid tert-butyl ester
AKOS022174032
1097731-47-9
tert-Butyl2-ethynylbenzylcarbamate
DS-6006
DB-173633
N13220
XTB73147
EN300-7415062
A894977
SCHEMBL26032333
DTXSID10856893

MDL Number

MFCD24471043

FAQ

What is tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9)?

Tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) is an organic chemical compound characterized by its tert-butyl group, an ethynyl group, and a benzyl carbamate. It is used in pharmaceuticals and research for synthesizing various compounds. The molecule contains the following elements: carbon (C), hydrogen (H), nitrogen (N), and oxygen (O).

What are the main uses of tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9)?

Tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) is primarily used in the pharmaceutical industry and chemical research for the synthesis of complex organic compounds. It serves as a key intermediate in the development of new drugs and materials.

Is tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) safe?

Tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) is generally considered safe when used under proper handling conditions. However, it should be handled with care due to its chemical reactivity. Appropriate personal protective equipment (PPE) should be used, and it should be stored in a cool, dry place away from direct sunlight and ignition sources.

How should tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) be stored?

Tert-Butyl 2-ethynylbenzylcarbamate (CAS: 1097731-47-9) should be stored in a cool, dry environment, protected from direct sunlight and heat. It should be kept in a tightly sealed container to prevent degradation. Storage temperature should not exceed 25°C, and the container must be stored in a well-ventilated area to avoid exposure to moisture and other contaminants.