2-Octenoic acid, 2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-

Base Information

• Chemical Name: 2-Octenoic acid, 2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-
• CAS No.: 85394-14-5
• Molecular Formula: C₁₄H₂₃NO₃
• Molecular Weight: 253.342
• ChEMBL ID: CHEMBL428006
• Mol file: 85394-14-5.mol

Synonyms:3-pentyl-2-(dimethylcyclopropylcarboxoxamido)propenoate;MK 789;MK-789

Chemical Property of 2-Octenoic acid, 2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-

Chemical Property:

• Vapor Pressure: 1.64E-09mmHg at 25°C
• Boiling Point: 454.1°C at 760 mmHg
• Flash Point: 228.4°C
• Density: 1.076g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 253.16779360
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC=C(C(=O)O)NC(=O)C1CC1(C)C
• Isomeric SMILES: CCCCC/C=C(/C(=O)O)\NC(=O)C1CC1(C)C

Technology Process of 2-Octenoic acid, 2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-

There total 12 articles about 2-Octenoic acid, 2-(((2,2-dimethylcyclopropyl)carbonyl)amino)- 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: 31.0%

2-oxooctanoic acid (328-51-8) + (S)-2,2-dimethylcyclopropanecarboxamide (75885-58-4) → (+)-(Z)-2-(2,2-dimethylcyclopropanecarboxamido)-2-octenoic acid (85394-14-5)

Guidance literature:

In toluene; for 17h; Heating;

DOI:10.1021/jm00389a018

Reference yield: 10.0%

2-oxooctanoic acid (328-51-8) + (RS)-2,2-dimethylcyclopropanecarboxamide (1759-55-3) → Z-2-(2,2-dimethylcyclopropanecarboxamido)-2-octenoic acid (74589-65-4,85394-14-5)

Guidance literature:

In toluene; Heating;

DOI:10.1021/jm00389a018

Reference yield:

2,2-dimethylcyclopropane-1-carboxylic acid (75885-59-5,931-26-0) → (+)-(Z)-2-(2,2-dimethylcyclopropanecarboxamido)-2-octenoic acid (85394-14-5)

Guidance literature:

Multi-step reaction with 4 steps

2: 93 percent / pyridine / 1.5 h / Ambient temperature

3: 83 percent / 3 M NH₃ / ethanol / 0.75 h

4: 31 percent / toluene / 17 h / Heating

With pyridine; ammonium hydroxide; In ethanol; toluene;

DOI:10.1021/jm00389a018

upstream raw materials:

2-oxooctanoic acid

(RS)-2,2-dimethylcyclopropanecarboxamide

Z-2-(2,2-dimethylcyclopropanecarboxamido)-2-octenoic acid

(S)-2,2-dimethylcyclopropanecarboxamide