1527-61-3

Basic information

• Product Name: N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE
• Synonyms: N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE;AKOS B015638;AKOS BBS-00004060;2-CHLORO-N-(4-ISOPROPYLPHENYL)ACETAMIDE;2-CHLORO-4'-ISOPROPYLACETANILIDE;ART-CHEM-BB B015638;BUTTPARK 94\04-42;N-(Chloroacetyl)-4-isopropylaniline
• CAS NO: 1527-61-3
• Molecular Formula: C₁₁H₁₄ClNO
• Molecular Weight: 211.69
• Mol File: 1527-61-3.mol
• Article Data: 16

Chemical Properties

• Melting Point: 132 °C
• Boiling Point: 356°Cat760mmHg
• Flash Point: 169.1°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 3.01E-05mmHg at 25°C
• Refractive Index: 1.56
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 12.87±0.70(Predicted)
• CAS DataBase Reference: N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE(1527-61-3)
• EPA Substance Registry System: N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE(1527-61-3)

Safety Data

• Hazard Codes: Xi
• Safety Statements: S24/25:Avoid contact with skin and eyes.
• HazardClass: IRRITANT
• Hazardous Substances Data: 1527-61-3(Hazardous Substances Data)

Usage

Description

N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE, also known as O-Desmethyltramadol, is a synthetic compound with potent analgesic properties. It is a key metabolite of the opioid drug tramadol, playing a significant role in its pain-relieving effects. N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE exerts its action by binding to opioid receptors in the central nervous system, leading to effective pain relief and a calming effect on the user.

Uses

Used in Pharmaceutical Industry:
N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE is used as an active pharmaceutical ingredient for its analgesic properties, primarily in the treatment of moderate to severe pain conditions. Its efficacy in pain management is attributed to its ability to bind with opioid receptors, providing relief and a sense of calm to patients suffering from various types of pain.
Used in Pain Management:
N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE is utilized as a pain-relieving agent, offering an alternative to other opioids for managing pain. Its role in binding to opioid receptors makes it a valuable component in formulations designed to alleviate discomfort and provide comfort to individuals in need.
Used in Research and Development:
In the scientific community, N1-(4-ISOPROPYLPHENYL)-2-CHLOROACETAMIDE serves as a subject of research for understanding the mechanisms of opioid analgesics and exploring potential improvements in pain management therapies. Its study contributes to the advancement of knowledge in pharmacology and the development of safer and more effective pain relief medications.

InChI:InChI=1/C11H14ClNO/c1-8(2)9-3-5-10(6-4-9)13-11(14)7-12/h3-6,8H,7H2,1-2H3,(H,13,14)

Upstream product

• 99-88-7 4-Isopropylaniline 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 1006679-47-5 C₁₁H₁₄N₄O 

Relevant articles and documents

Synthesis, in silico Study and Antimicrobial Evaluation of New Selenoglycolicamides

Nine new compounds derived from selenoglycolic acid were synthesized, and their structures were fully characterized by elemental analysis, infrared (IR),1H and13C nuclear magnetic resonance (NMR). The compounds were evaluated in an i

Synthesis, biological evaluation, and structure-activity relationships of new tubulin polymerization inhibitors based on 5-amino-1,2,4-triazole scaffold

Based on our previous research, thirty new 5-amino-1H-1,2,4-triazoles possessing 3,4,5-trimethoxyphenyl moiety were synthesized, and evaluated for antiproliferative activities. Among them, compounds IIa, IIIh, and IIIm demonstrated significant antiproliferative activities against a panel of tumor cell lines, and the promising compound IIIm dose-dependently caused G2/M phase arrest in HeLa cells. Furthermore, analogue IIa exhibited the most potent tubulin polymerization inhibitory activity with an IC50 value of 9.4 μM, and molecular modeling studies revealed that IIa formed stable interactions in the colchicine-binding site of tubulin, suggesting that 5-amino-1H-1,2,4-triazole scaffold has potential for further investigation to develop novel tubulin polymerization inhibitors with anticancer activity.

Triazole sulfonamides derivatives and their use in agriculture

The invention provides a novel triazole sulfonamide derivative and application thereof in agriculture. , The invention relates to a triazole sulfonamides derivative as shown in a formula (I) and a preparation method thereof. I In formula (R)1 And R2 Are each independently hydrogen. C1 -6 Alkyl and the like, R3 Document C3 -8 Cycloalkyl, R4 -SO2 - NRa Rb , SO2 - C1 -6 Alkyl group, SO2 - C3 -8 Cycloalkyl, SO2 - C1 -3 Alkylene - C3 -8 Cycloalkyl, SO2 - Rc , C1 -3 Alkylene - C (＝ O) O-C1 -6 Alkyl or - C1 -3 Alkylene - C (＝ O) - NRd Re , Ra , Rb , Rc , Rd And Re Having the meaning of the invention. The compound, the composition containing the compound and/or the preparation provided by the invention has good bactericidal activity and can be used as a bactericide in agriculture.

Novel selective ido1 inhibitors with isoxazolo[5,4-d]pyrimidin-4(5h)-one scaffold

Indoleamine 2,3-dioxygenase 1 (IDO1) is a promising target in immunomodulation of several pathological conditions, especially cancers. Here we present the synthesis of a series of IDO1 inhibitors with the novel isoxazolo[5,4-d]pyrimidin-4(5H)-one scaffold. A focused library was prepared using a 6-or 7-step synthetic procedure to allow a systematic investigation of the structure-activity relationships of the described scaffold. Chemistry-driven modifications lead us to the discovery of our best-in-class inhibitors possessing p-trifluoromethyl (23), p-cyclohexyl (32), or p-methoxycarbonyl (20, 39) substituted aniline moieties with IC50 values in the low micromolar range. In addition to hIDO1, compounds were tested for their inhibition of indoleamine 2,3-dioxygenase 2 and tryptophan dioxygenase, and found to be selective for hIDO1. Our results thus demon-strate a successful study on IDO1-selective isoxazolo[5,4-d]pyrimidin-4(5H)-one inhibitors, defining promising chemical probes with a novel scaffold for further development of potent small-molecule immunomodulators.