2-Bromo-N-carbamoyl-3-methylbutanamide

Basic Information

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CAS Number

496-67-3

Molecular Formula

C6H11BrN2O2

Molecular Weight

223.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

°Cat760mmHg

Refractive Index

1.5410 (estimate)

SMILES

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CC(C)C(C(=O)NC(=O)N)Br

InChI

InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

InChIKey

CMCCHHWTTBEZNM-UHFFFAOYSA-N

LogP

0.6008000000000002

Topological Polar Surface Area

72.19 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

170

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in male mice (mmoles/kg): 3.25 i.p. (Mrongovius)

Synonyms & References

English

Bromisoval (INN)
Bromovalerocarbamide
NS00002006
AC-32032
UNII-469GW8R486
D01391
2-Bromo-3-methylbutyrylurea
Somnurol
66101-52-8
BRN 1773255
DB13370
CMCCHHWTTBEZNM-UHFFFAOYSA-N
Bromisovalum; Bromovalerylurea; 2-Bromo-N-Carbamoyl-3-Methyl-Butanamide; 2-Bromo-N-Carbamoyl-3-Methyl-Butyramide; N-Aminocarbonyl-2-Bromo-3-Methyl-Butanamide
.ALPHA.-BROMO-.BETA.-DIMETHYLPROPANOYLUREA
Bromisovalum [NF]
Bromvaletone
Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-, (A+/-)-
2-Bromo-isovaleryl urea
Q-200755
Monobromoisovalerylurea
alpha-Bromoisovaleric acid ureide
Abroval
Bromcarbamide
Bromisovalerylurea
Brovalin
Bromyl
Bromvalerylurea [JAN]
BROMOVALERYLUREA [JAN]
Q420899
2-bromo-N-carbamoyl-3-methyl-butanamide
SR-01000040621-1

MDL Number

MFCD00047873

Customs Code

2924210090

FAQ

What are the physical and chemical properties of 2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3)?

2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3) is a crystalline compound with a molecular weight of approximately 211.07 g/mol. It has a melting point of 140-142°C and a solubility in water of 0.025 g/100 mL at 20°C. This compound shows moderate reactivity in nucleophilic substitution reactions and is stable under normal storage conditions.

How is 2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3) typically synthesized?

2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3) is typically synthesized through a multi-step process involving the bromination of 3-methylbutanamide followed by carbamoylation. The synthesis involves the use of bromine in the presence of a suitable base and a catalyst. The process yields a compound with high purity and good selectivity.

What industries use 2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3)?

2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in chemical research for its reactivity in organic synthesis. It also has applications in the polymer industry for modifying polymer properties and in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3)?

When handling 2-Bromo-N-carbamoyl-3-methylbutanamide (CAS: 496-67-3), it is important to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be handled by disconnecting sources of ignition, neutralizing with a suitable base, and disposing of the waste according to local regulations. Safety data sheets (SDS) should be consulted for detailed guidance.