2-Methyl-2-propanyl (3-bromopropyl)carbamate

Basic Information

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CAS Number

83948-53-2

Molecular Formula

C8H16BrNO2

Molecular Weight

238.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

36.0 to 41.0 deg-C

Boiling Point

285.286 °C at 760 mmHg

Density

1.279

Flash Point

285.286 °C at 760 mmHg

Refractive Index

1.473

SMILES

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CC(C)(C)OC(=O)NCCCBr

InChI

InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

InChIKey

IOKGWQZQCNXXLD-UHFFFAOYSA-N

LogP

2.2961

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

143

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

Synonyms & References

English

MFCD02683429
A840691
1-(tert-butoxycarbonylamino)-3-bromopropane
(3-bromopropyl)-carbamic acid tert-butyl ester
3-(tert-butyloxycarbonylamino)propyl bromide
FT-0649761
3-(Boc-amino)propyl bromide
DTXSID40403511
2-methyl-2-propyl (3-bromopropyl)-carbamate
3-Bromopropylcarbamic acid tert-butyl ester
IOKGWQZQCNXXLD-UHFFFAOYSA-N
N-(t-Butyloxycarbonyl)-1-bromo-3-propylamine
A864195
3(BOC-amino)propylbromide
tert-butyl N-(3-bromanylpropyl)carbamate
N-Boc-3-Aminopropyl Bromide
AC-25616
(3-bromo-propyl)-carbamic acid ter-butyl ester
3-(tert-Butoxycarbonylamino)propyl Bromide
AB3341
3(BOC-amino) propylbromide
1,1-Dimethylethyl (3-bromopropyl)-carbamate
J-524531
N-t-butyloxycarbonyl-3-bromopropylamine
(3-bromo-propyl)carbamic acid tert-butyl ester
1-tert-butoxycarbonylamino-3-bromopropane
(tert-butoxy)-n-(3-bromopropyl)carboxamide
B2234
1,1-dimethylethyl (3-bromopropyl)carbamate
3-(Boc-Amino)propylbromide
AKOS015836810

MDL Number

MFCD02683429

Customs Code

2924199090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (3-bromopropyl)carbamate (CAS: 83948-53-2)?

2-Methyl-2-propanyl (3-bromopropyl)carbamate is a colorless to yellowish liquid with a molecular weight of approximately 210.04 g/mol. It has a high solubility in organic solvents like acetone and ethanol, but is only slightly soluble in water. Chemically, it is reactive towards nucleophiles and bases. It exhibits low volatility and is stable under normal conditions, but should be stored away from strong acids and bases.

How is 2-Methyl-2-propanyl (3-bromopropyl)carbamate (CAS: 83948-53-2) typically synthesized?

2-Methyl-2-propanyl (3-bromopropyl)carbamate is typically synthesized via the reaction of 2-methyl-2-propanol with N-bromosuccinimide (NBS) in the presence of a free radical initiator like benzoyl peroxide. The reaction is carried out in an inert atmosphere, and the yield is usually around 70-80%. The process requires careful control of temperature and reaction time to achieve high selectivity.

What industries use 2-Methyl-2-propanyl (3-bromopropyl)carbamate (CAS: 83948-53-2)?

2-Methyl-2-propanyl (3-bromopropyl)carbamate is used in various industries such as pharmaceuticals for the synthesis of drug intermediates, and in polymer science for the modification of polymers. It is also utilized in the production of sensors and semiconductors due to its specific reactivity and chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl (3-bromopropyl)carbamate (CAS: 83948-53-2)?

When handling 2-Methyl-2-propanyl (3-bromopropyl)carbamate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood to avoid inhalation risks. In case of spill, ensure the area is well-ventilated and use appropriate absorbents. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.