Atazanavir Impurity 20

Basic Information

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CAS Number

102123-74-0

Molecular Formula

C15H20ClNO3

Molecular Weight

297.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

423.9°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)CCl

InChI

InChI=1S/C15H20ClNO3/c1-15(2,3)20-14(19)17-12(13(18)10-16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,19)/t12-/m0/s1

InChIKey

JAKDNFBATYIEIE-LBPRGKRZSA-N

LogP

2.9303000000000017

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

333

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(3S)-1-chloro-3-tert-butoxycarbonylamino-4-phenyl-2-butanone
N-(tert-butyloxycarbonyl)-(3S)-3-amino-1-chloro-4-phenyl-2-butanone
JAKDNFBATYIEIE-LBPRGKRZSA-N
DTXSID40432942
[1(S)-benzyl-2-oxo-3-chloropropyl]carbamic acid t-butyl ester
BCP08425
Carbamic acid, N-((1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester
tert-Butyl [(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
MFCD11041198
AKOS016842989
AMY21566
(3S)-3-(N-Boc-amino)-1-chloro-4-phenyl-2-butanone
CS-B0125
tert-butyl (S)-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
(3S)-3-(TERT-BUTOXYCARBONYL)AMINO-1-CHLORO-4-PHENYL-2-BUTANONE
J-501274
(S)-tert-Butyl (4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate
(3S)-3-tert-butoxycarbonylamino-1-chloro-4-phenyl-2-butanone
tert-butyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
(3S)-3-tert-butoxycarbonylamino -1-chloro-4-phenyl-2-butanone
(3S)-3-tert-butoxycarbonylamino-1 -chloro-4-phenyl-2-butanone
UNII-UV1OR154Q5
UV1OR154Q5
DS-14730
tert-Butyl N-((1S)-1-Benzyl-3-chloro-2-oxopropyl)carbamate
SCHEMBL638877
(3S)-(-)-3-tert-Butoxycarbonylamino-1-chloro-4-phenyl-2-butanone
EN300-7407696
Z1505699083
A800518

MDL Number

MFCD11041198

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Atazanavir Impurity 20 (CAS: 102123-74-0)?

Atazanavir Impurity 20 (CAS: 102123-74-0) is a crystalline compound with a molecular weight of approximately 652.72 g/mol. It is poorly water-soluble, with a solubility of about 1 mg/L. This impurity is relatively stable under normal conditions but may react with strong acids or bases. It is important to handle it under appropriate storage conditions to maintain its stability.

How is Atazanavir Impurity 20 (CAS: 102123-74-0) typically synthesized?

Atazanavir Impurity 20 (CAS: 102123-74-0) is typically synthesized using a multistep process involving the condensation of aromatic amines and aldehydes, followed by cyclization and subsequent transformation. This synthesis often requires the use of catalysts such as palladium and requires precise control over reaction conditions to achieve high yields and selectivity.

What industries use Atazanavir Impurity 20 (CAS: 102123-74-0)?

Atazanavir Impurity 20 (CAS: 102123-74-0) is primarily used in the pharmaceutical industry as an impurity in the synthesis and production of Atazanavir, a widely used antiretroviral drug. While it has limited direct applications, it plays a crucial role in ensuring the purity of Atazanavir products, making it essential for the pharmaceutical sector.

What precautions should be taken when handling Atazanavir Impurity 20 (CAS: 102123-74-0)?

When handling Atazanavir Impurity 20 (CAS: 102123-74-0), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably in a fume hood, to minimize inhalation risks. In case of spillage, the area should be thoroughly cleaned with appropriate solvents, and the spill documentation should be recorded following safety protocols. Always refer to the Safety Data Sheet (SDS) for detailed instructions.