Apremilast Impurity 67

Basic Information

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CAS Number

136285-65-9

Molecular Formula

C16H22N2O6

Molecular Weight

310.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

390.832 °C at 760 mmHg

Flash Point

190.169 °C

SMILES

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CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H22N2O6/c1-5-10-16(3,4)24-15(20)17-13-11(14(19)23-6-2)8-7-9-12(13)18(21)22/h7-9H,5-6,10H2,1-4H3,(H,17,20)

InChIKey

JFNARDWNFAOEBF-UHFFFAOYSA-N

LogP

2.17690

Complexity

426

Synonyms & References

English

136285-65-9
Ethyl 2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
Ethyl 2-(Boc-amino)-3-nitrobenzoate
2-[1.1-dimethyl ethyl ethoxy carbonyl]amino-3-nitro benzoic acid ethyl ester
D88033
ethyl 2-t-butoxycarbonylamino-3-nitrobenzoate
NYCBXLQKKUBOGV-UHFFFAOYSA-N
BS-50177
MFCD09833364
Ethyl2-((tert-butoxycarbonyl)amino)-3-nitrobenzoate
SCHEMBL3874517
ethyl 2-(tert-butoxycarbonylamino)-3-nitrobenzoate
CS-0094655
FT-0737699
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate
AKOS015891242
ethyl 2 -t-butoxycarbonylamino-3-nitrobenzoate
SY284370
ethyl 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitrobenzoate
ETHYL 2-{[(TERT-BUTOXY)CARBONYL]AMINO-3-NITROBENZOATE
Benzoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-nitro-, ethyl ester
2-[1.1-DIMETHYL ETHYL ETHOXY CARBONYL]AMINO-3-NITRO BENZOIC ACID ETHYL ESTER,ENTERPRISE STANDARD
Ethyl 2-[(t-butoxycarbonyl)amino]-3-nitrobenzoate
[2]quinolyl-acetic acid ethyl ester
2-quinolineacetic acid ethyl ester
ethyl 2-(N-tert-butoxycarbonyl)amino-3-nitrobenzoate
ethyl 2(S)-2-[(3S,5aS,9aS,10aS)-3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)yl]-pentanoate
ethyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate
ethyl 2-quinolineacetate
ethyl quinoline-2-acetate
quinolin-2-yl-acetic acid ethyl ester

MDL Number

MFCD09833364

FAQ

What are the physical and chemical properties of Apremilast Impurity 67 (CAS: 136285-65-9)?

Apremilast Impurity 67 (CAS: 136285-65-9) is a white crystalline solid with a molecular weight of approximately 552.67 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and acetonitrile. The compound is known for its low reactivity under normal conditions but may undergo hydrolysis under acidic or basic conditions.

How is Apremilast Impurity 67 (CAS: 136285-65-9) typically synthesized?

Apremilast Impurity 67 (CAS: 136285-65-9) is typically synthesized via a multi-step process involving nucleophilic substitution and condensation reactions. The synthesis generally uses catalysts like palladium acetate to enhance selectivity and yield, achieving a high purity product.

What industries use Apremilast Impurity 67 (CAS: 136285-65-9)?

Apremilast Impurity 67 (CAS: 136285-65-9) is primarily used in the pharmaceutical industry, particularly in the development and quality control of apremilast, a drug used to treat plaque psoriasis and psoriatic arthritis. It may also have applications in academic research for studying the pharmacokinetics and pharmacodynamics of apremilast.

What precautions should be taken when handling Apremilast Impurity 67 (CAS: 136285-65-9)?

When handling Apremilast Impurity 67 (CAS: 136285-65-9), it is essential to use personal protective equipment (PPE) including gloves and safety goggles. Store the compound in a cool, dry place away from direct sunlight and heat sources. Always work in a well-ventilated area or under a fume hood. In case of spill, clean up with caution and refer to the Safety Data Sheet (SDS) for specific procedures.