N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide

Base Information

• Chemical Name: N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide
• CAS No.: 4370-86-9
• Molecular Formula: C26H34N2O2S
• Molecular Weight: 162.232
• DSSTox Substance ID: DTXSID90387635
• ChEMBL ID: CHEMBL1436867

Synonyms:AC1MFQ2S;Oprea1_480342;CHEMBL1436867;DTXSID90387635;HMS1799I20;NCGC00099806-01;EU-0011772;SR-01000494971;SR-01000494971-1;N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide

Chemical Property of N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide

Chemical Property:

• Vapor Pressure: 1.18E-12mmHg at 25°C
• Boiling Point: 561.9°Cat760mmHg
• Flash Point: 293.7°C
• Density: 1.178g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 438.23409951
• Heavy Atom Count: 31
• Complexity: 654

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCCCC4

Technology Process of N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide

There total 15 articles about N-[6-tert-butyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methylbenzamide 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:

(+/-)-2-methyl-2-phenyl-butyronitrile (5558-93-0) → 2-methyl-2-phenylbutyraldehyde (4370-86-9)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether; anschliessend mit wss.HCl;

DOI:10.1021/ja01647a003

Reference yield:

C11H15BrO (1342886-82-1) → 2-methyl-2-phenylbutyraldehyde (4370-86-9) + 2-methyl-1-phenyl-butan-1-one (938-87-4)

Guidance literature:

With diethylzinc; trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.08.134

Reference yield:

5-ethyl-5-phenyl-[1,3]dioxan-2-one (108323-47-3) → 2-methyl-2-phenylbutyraldehyde (4370-86-9)

Guidance literature:

With potassium cyanide; at 200 - 210 ℃; under 40 Torr;

DOI:10.1021/ja01496a062

upstream raw materials:

1,2-epoxy-2-methyl-1-phenyl-butane

(+/-)-2-methyl-2-phenyl-butanol-⁽¹⁾

(+/-)-2-methyl-2-phenyl-butyronitrile

5-ethyl-5-phenyl-[1,3]dioxan-2-one

Downstream raw materials:

9-ethyl-10-methylphenanthrene

2-ethoxy-4-methyl-4-phenylhex-2-enoic acid ethyl ester

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