11-Cyanoundecanoic acid

Base Information

• Chemical Name: 11-Cyanoundecanoic acid
• CAS No.: 5810-18-4
• Molecular Formula: C12H21NO2
• Molecular Weight: 211.304
• Hs Code.: 2926909090
• European Community (EC) Number: 227-373-4
• NSC Number: 59854
• UNII: 2B6O27O3HO
• DSSTox Substance ID: DTXSID40206827
• Nikkaji Number: J21.849I
• Wikidata: Q27254509
• Mol file: 5810-18-4.mol

Synonyms:11-Cyanoundecanoic acid;5810-18-4;11-CYANO-1-UNDECANOIC ACID;11-CYANO-1-UNDECANOICACID;Undecanoic acid, 11-cyano-;UNII-2B6O27O3HO;2B6O27O3HO;EINECS 227-373-4;MFCD00002731;NSC-59854;NSC59854;11-cyano-undecanoic acid;2-tert-butylpyrimidin-4-ol;SCHEMBL609292;11-Cyanoundecanoic acid, 97%;DTXSID40206827;NSC 59854;AKOS024263969;FD10458;BS-51303;SY292788;FT-0607213;Q27254509

Chemical Property of 11-Cyanoundecanoic acid

Chemical Property:

• Vapor Pressure: 6.94E-07mmHg at 25°C
• Melting Point: 57 °C
• Refractive Index: 1.463
• Boiling Point: 381.7 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 184.7 °C
• PSA: 61.09000
• Density: 0.984 g/cm³
• LogP: 3.49558
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 211.157228913
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

11-CYANO-1-UNDECANOIC ACID 98.00% ^*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: C(CCCCCC(=O)O)CCCCC#N

Technology Process of 11-Cyanoundecanoic acid

There total 16 articles about 11-Cyanoundecanoic acid 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: 99.2%

14,15-dioxa-7-aza-dispiro[5.1.5.2]pentadecane (21842-28-4) → caprolactam (105-60-2,9012-16-2) + 11-cyanoundecanoic acid (5810-18-4) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With cerium(IV) oxide; 2,2'-azobis(isobutyronitrile); at 50 ℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 96.0%

→ 11-cyanoundecanoic acid (5810-18-4)

Guidance literature:

Reference yield:

12-oxododecanenitrile (13050-14-1) → 11-cyanoundecanoic acid (5810-18-4)

Guidance literature:

With (acetylacetonato)dicarbonylrhodium (l); In diethyl ether; for 48h;

DOI:10.1002/adsc.201300492

upstream raw materials:

11-bromoundecanoic acid

sodium cyanide

(Z)-2-hydroxyiminocyclododecanone

(ω-Cyan-undecansaeure)-ameisensaeure-anhydrid

Downstream raw materials:

4-(11-cyanoundecanoyl)-1,2-dimethoxybenzene

12-Aminododecanoic acid

dodec-11-ynoic acid

11-dodecenenittrile

Refernces

• 1、 Stojiljkovic,A.,Tasovac,R.. "-". . p. 1405 - 1408. Retrieved 1970.
• 2、 -. "Amino acid preparation method comprising a step of hydroformylation of an unsaturated fatty nitrile". Page/Page column 17. . Retrieved 2018/11/30.
• 3、 Ternel, Jeremy,Couturier, Jean-Luc,Dubois, Jean-Luc,Carpentier, Jean-Francois. "Rhodium-catalyzed tandem isomerization/hydroformylation of the bio-sourced 10-undecenenitrile: Selective and productive catalysts for production of polyamide-12 precursor". . p. 3191 - 3204. Retrieved 2013/12/04.