Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-

Basic Information

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CAS Number

402-71-1

Molecular Formula

C17H18ClNO3S

Molecular Weight

351.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

106.0 to 110.0 deg-C

Boiling Point

509.9 °C at 760 mmHg

Flash Point

262.2 °C

Refractive Index

1.6100 (estimate)

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1

InChIKey

MQUQNUAYKLCRME-INIZCTEOSA-N

LogP

2.692520000000001

Topological Polar Surface Area

63.24 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

475

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC-727365
Tosyl-L-phenylalanylchloromethane
N-p-Tosyl-L-phenylalanine chloromethyl ketone (TPCK)
Benzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-
N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
L-Chloromethyl (2-phenyl-1-(p-toluenesulphonylamino)ethyl) ketone
HMS3263H15
p-Tosyl-L-phenylalanine chloromethylketone
HMS1791N03
tosylphenylalanylchloromethane
PI-122
NCGC00094419-05
N-p-Tosyl-L-phenylalanine chloromethyl ketone
Benzenesulfonamide, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-
Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-
EINECS 206-954-6
N-Tosyl-L-phenylalanine chloromethyl ketone
EU-0101157
NCGC00094419-02
Tosyl-Phe-CMK (TPCK)
NCGC00261842-01
NSC 727365
NCGC00094419-03
KBioGR_000261
BRD-K07055988-001-02-4
A873400
Opera_ID_1094
MLS001076075
HY-124379
LP01157
CHEBI:9642

MDL Number

MFCD00000935

Customs Code

29350090

FAQ

What are the physical and chemical properties of Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- (CAS: 402-71-1)?

Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- is a white crystalline solid with a molecular weight of approximately 348.2 g/mol. It has limited water solubility, making it suitable for use in various organic syntheses. The compound is moderately reactive, particularly in the presence of bases and reducing agents. It can form salts and esters under appropriate conditions.

How is Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- (CAS: 402-71-1) typically synthesized?

Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- is typically synthesized by the reaction of 4-chloro-3-methylbenzenesulfonamide with (R)-3-chloro-2-oxo-1-(phenylmethyl)propylamine. This process involves the use of a base such as triethylamine and is carried out at room temperature. The yield can be improved by optimizing reaction conditions and using high-purity starting materials.

What industries use Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- (CAS: 402-71-1)?

Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- is primarily used in the pharmaceutical and chemical industries. It serves as a key intermediate in the synthesis of various drugs and also finds applications in the production of dyes and other organic materials. Its unique structure makes it suitable for use in developing new materials and compounds for electronic and sensor applications.

What precautions should be taken when handling Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl- (CAS: 402-71-1)?

When handling Benzenesulfonamide,N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. It should be stored in a cool, dry, and well-ventilated area, away from flammable materials. Spills should be cleaned up using appropriate absorbent materials and proper disposal methods. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.