Octanamide

Base Information

• Chemical Name: Octanamide
• CAS No.: 629-01-6
• Molecular Formula: C8H17 N O
• Molecular Weight: 143.229
• Hs Code.: 2924297099
• European Community (EC) Number: 211-066-7
• NSC Number: 5515
• UNII: 1X5804D710
• DSSTox Substance ID: DTXSID4060862
• Nikkaji Number: J6.885C
• Wikidata: Q6048559
• Mol file: 629-01-6.mol

Synonyms:Octanamide;n-Octanamide;629-01-6;Caprylamide;UNII-1X5804D710;NSC 5515;NSC-5515;EINECS 211-066-7;1X5804D710;octanoylamine;caprylic acid amide;octanoic acid amide;SCHEMBL216332;DTXSID4060862;NSC5515;CHEBI:142682;MFCD00191675;AKOS003482050;AS-56407;CS-0206474;O0238;D91840;Q6048559

Chemical Property of Octanamide

Chemical Property:

• Melting Point: 105°C
• Refractive Index: 1.4852 (estimate)
• Boiling Point: 261.35°C (rough estimate)
• PKA: 16.76±0.40(Predicted)
• Flash Point: 120oC
• PSA: 43.09000
• Density: 0.8450
• LogP: 2.53250
• Solubility.: soluble in Methanol
• Water Solubility.: 4.71g/L(100 oC)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 143.131014166
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

98% ^*data from raw suppliers

n-Octanamide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)N

Technology Process of Octanamide

There total 57 articles about Octanamide 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: 98.4%

Octanoic acid (124-07-2) → n-octanamide (629-01-6)

Guidance literature:

With ammonia; zircornium(IV) n-propoxide; at 165 ℃; for 8h; Reagent/catalyst;

Reference yield: 97.0%

caprylnitrile (124-12-9) → n-octanamide (629-01-6)

Guidance literature:

With dihydrogen peroxide; hexadecyltrimethylammonium methanesulfonate; sodium hydroxide; In water; at 25 ℃; for 1h;

DOI:10.2174/157017809787582708

Reference yield: 95.0%

octanoic acid ethyl ester (106-32-1) → n-octanamide (629-01-6)

Guidance literature:

With ammonia; at 40 ℃; for 24h; Temperature; Concentration; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.05.020

upstream raw materials:

tetrachloromethane

caprylnitrile

Octanoic acid

octanoic acid ethyl ester

Downstream raw materials:

1-Heptylamine

caprylnitrile

n-dioctylamine

N,N'-diheptylurea

Refernces

• 1、 Dubey, Santosh Kumar,Kaur, Gurmeet,Rath, Nigam P.,Trivedi, Manoj. "Ru(ii)- And Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions". . p. 17339 - 17346. Retrieved 2021/10/08.
• 2、 Govindan, Karthick,Lin, Wei-Yu. "Ring Opening/Site Selective Cleavage in N-Acyl Glutarimide to Synthesize Primary Amides". supporting information. p. 1600 - 1605. Retrieved 2021/03/03.