2-Methyl-2-propanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate | CAS No. 847728-89-6

2-Methyl-2-propanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate

Basic Information

CAS Number

847728-89-6

Molecular Formula

C13H18BrNO2

Molecular Weight

300.2 g/mol

AD

Basic Physical Properties

Density

1.282±0.06 g/cm3 (20 ºC 760 Torr)

C[C@H](NC(=O)OC(C)(C)C)c1ccc(Br)cc1

InChI

InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1

InChIKey

KECPRZHCNCDSET-VIFPVBQESA-N

LogP

4.034800000000003

Topological Polar Surface Area

38.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

255

Synonyms & References

English

  • (S)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate
  • (S)-[1-(4-bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester
  • (S)-tert-butyl 1-(4-bromophenyl)ethylcarbamate
  • (S)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester
  • (S)-N-tert-butoxycarbonyl-1-(4-bromophenyl)ethylamine
  • QC-7814
  • WT1213
  • Carbamic acid, [(1S)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
  • (S)-N-Boc-1-(4-bromophenyl)ethylamine
  • tert-Butyl [(S)-1-(4-bromophenyl)ethyl]carbamate
  • tert-Butyl [(1S)-1-(4-bromophenyl)ethyl]carbamate
  • tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate
  • (R)-N-Boc-1

MDL Number

MFCD11506011

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate (CAS: 847728-89-6)?

The compound is a white crystalline solid with a molecular weight of approximately 328.07 g/mol. It has a low water solubility and is soluble in organic solvents like dichloromethane and ethanol. Chemically, it is moderately reactive, especially towards nucleophiles due to its carbamate functionality.

How is 2-Methyl-2-proanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate (CAS: 847728-89-6) typically synthesized?

The compound is synthesized via the reaction of (1S)-1-(4-bromophenyl)ethanamine with 2-methyl-2-propanoyl isocyanate. The process involves a nucleophilic substitution reaction and typically yields up to 85% of the desired product with good selectivity.

What industries use 2-Methyl-2-proanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate (CAS: 847728-89-6)?

This compound is primarily used in the pharmaceutical industry for the synthesis of drug intermediates. It also finds application in the polymer industry for modifying polymer properties and in the sensor and semiconductor industries for specialized chemical functionalities.

What precautions should be taken when handling 2-Methyl-2-proanyl [(1S)-1-(4-bromophenyl)ethyl]carbamate (CAS: 847728-89-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...