3-Amino-5,5-dimethyl-hexanoicacidamide

Base Information

• Chemical Name: 3-Amino-5,5-dimethyl-hexanoicacidamide
• CAS No.: 893-01-6
• Molecular Formula: C16H14 O S2
• Molecular Weight: 286.419
• Hs Code.: 2934999090
• European Community (EC) Number: 212-969-9
• Mol file: 893-01-6.mol

Synonyms:893-01-6;3-AMINO-5,5-DIMETHYL-HEXANOICACIDAMIDE

Chemical Property of 3-Amino-5,5-dimethyl-hexanoicacidamide

Chemical Property:

• Vapor Pressure: 1.11E-09mmHg at 25°C
• Boiling Point: 488.2°C at 760 mmHg
• Flash Point: 249.1°C
• PSA: 73.55000
• Density: 1.316g/cm³
• LogP: 5.02960
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 286.04860741
• Heavy Atom Count: 19
• Complexity: 375

Purity/Quality:

99%, ^*data from raw suppliers

2,6-bis(2-thienylmethylene)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CS2)C(=O)C(=CC3=CC=CS3)C1
• Isomeric SMILES: C1CC(=CC2=CC=CS2)C(=O)/C(=C/C3=CC=CS3)/C1

Technology Process of 3-Amino-5,5-dimethyl-hexanoicacidamide

There total 3 articles about 3-Amino-5,5-dimethyl-hexanoicacidamide 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: 95.0%

thiophene-2-carbaldehyde (98-03-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 2,6-bis(thien-2-yl-methylene)cyclohexanone (893-01-6)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2011.10.023

Reference yield: 94.0%

thiophene-2-carbaldehyde (98-03-3) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → tenylidone (893-01-6)

Guidance literature:

With dimethylbromosulphonium bromide; In neat (no solvent); at 20 ℃; for 0.0666667h;

DOI:10.1080/00397911.2013.834362

Reference yield:

→ tenylidone (893-01-6)

Guidance literature:

2-Formylthiophen, Cyclohexanon;

upstream raw materials:

thiophene-2-carbaldehyde

cyclohexanone

Refernces

• 1、 Zhi, Mengna,Gan, Zhenjie,Ma, Rong,Cui, Hao,Li, Er-Qing,Duan, Zheng,Mathey, Fran?ois. "Ag/P-Stereogenic Phosphine-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions: A Method to Optically Active Pyrrolidines". supporting information. . Retrieved 2019/05/07.
• 2、 Joshi, Bishnu P.,Mohanakrishnan, Dinesh,Mittal, Garima,Kar, Swayamsiddha,Pola, Jeevan Kumar,Golakoti, Nageswara Rao,Nanubolu, Jagadeesh Babu,D, Rajesh Babu,S, Sai Suraj Kumar,Sahal, Dinkar. "Synthesis, mechanistic and synergy studies of diarylidenecyclohexanone derivatives as new antiplasmodial pharmacophores". . p. 2312 - 2324. Retrieved 2018/09/20.