2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

Base Information

• Chemical Name: 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
• CAS No.: 114289-47-3
• Molecular Formula: C23H39 N O4
• Molecular Weight: 393.567
• Hs Code.: 2924299090
• European Community (EC) Number: 635-231-1
• UNII: 8653IQ20EA
• DSSTox Substance ID: DTXSID00150690
• Nikkaji Number: J367.021J
• Wikidata: Q27166805
• Pharos Ligand ID: UU24457H8WZP
• ChEMBL ID: CHEMBL22373
• Mol file: 114289-47-3.mol

Synonyms:2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide;CI 976;CI-976;PD 128042;PD-128042;PD128042

Chemical Property of 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

Chemical Property:

• Vapor Pressure: 2.59E-10mmHg at 25°C
• Boiling Point: 504.7°Cat760mmHg
• Flash Point: 259°C
• PSA: 56.79000
• Density: 1.002g/cm³
• LogP: 6.28090
• Storage Temp.: Store at +4°C
• Solubility.: DMSO: >10mg/mL
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 393.28790873
• Heavy Atom Count: 28
• Complexity: 413

Purity/Quality:

99%, ^*data from raw suppliers

CI 976 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
• Description: Acyl-coenzyme A:cholesterol acyltransferase 1 (ACAT-1) is a sterol O-acyltransferase that catalyzes the formation of fatty acid-cholesterol esters, an important step in lipoprotein assembly and dietary cholesterol absorption. CI-976 is a potent, selective inhibitor of ACAT-1 (IC50 = 73 nM). It is orally bioavailable and decreases plasma total cholesterol, very low density lipoprotein (VLDL) cholesterol, LDL cholesterol, apolipoprotein B, liver cholesteryl esters, and VLDL and LDL cholesteryl ester content in rabbits given a diet that induces hypercholesterolemia. CI-976 also diminishes atherosclerotic activity in hypercholesterolemic rabbits.
• Uses: CI-976 is a selective inhibitor of Acyl-coenzyme A: cholesterol Acyltransferase 1 (ACAT-1), a sterol O-acetyltransferase that catalyzes information of fatty acid-cholesterol esters. Orally bioavailable and decreses plasma total cholesterol CI 976 has been used as an acyl-coenzyme A: cholesterol acyltransferase (ACAT) inhibitor:to analyze its anti-hepatitis C virus (HCV) activity in Huh7.5.1 cells to treat Neuro-2a cells to test its effect on plasma membrane integrated density of α4-SEPβ2 or α6-SEPβ2β3 nicotinic acetylcholine receptors (nAChRs)to study its effects on the anti-angiogenic activity of pyripyropenes in human umbilical vein endothelial cells

Technology Process of 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

There total 4 articles about 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-bromo dodecane (112-29-8) → 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide (114289-47-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH, diisopropylamine, 2.) n-BuLi, 3.)

2: 89 percent / SOCl₂ / Ambient temperature

3: 10.5 g / triethylamine / tetrahydrofuran / Ambient temperature

With n-butyllithium; thionyl chloride; sodium hydride; triethylamine; diisopropylamine; In tetrahydrofuran;

DOI:10.1021/jm00087a016

Reference yield:

2,2-Dimethyl dodecanoic acid (2874-73-9) → 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide (114289-47-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / SOCl₂ / Ambient temperature

2: 10.5 g / triethylamine / tetrahydrofuran / Ambient temperature

With thionyl chloride; triethylamine; In tetrahydrofuran;

DOI:10.1021/jm00087a016

Reference yield:

2,2-dimethyldodecanoyl chloride (60631-34-7) + 2,4,6-trimethoxyaniline hydrochloride (102438-99-3) → 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide (114289-47-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; Ambient temperature;

DOI:10.1021/jm00087a016

upstream raw materials:

2,2-dimethyldodecanoyl chloride

2,4,6-trimethoxyaniline hydrochloride

1-bromo dodecane

2,2-Dimethyl dodecanoic acid

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 114289-47-3 2,2-DIMETHYL-N-(2,4,6-TRIMETHOXYPHENYL)DODECANAMIDE

Send

Send

Metric Ton KG G Pound L ML

Send

Send