2, 3,7-Dimethyl-, oxime

Base Information

• Chemical Name: 2, 3,7-Dimethyl-, oxime
• CAS No.: 13372-77-5
• Molecular Formula: C10H17 N O
• Molecular Weight: 167.251
• Hs Code.: 2928000090
• European Community (EC) Number: 236-447-5
• NSC Number: 107923
• Mol file: 13372-77-5.mol

Synonyms:Citral oxime;2,6-Octadienal, 3,7-dimethyl-, oxime;13372-77-5;AI3-12094;2, 3,7-dimethyl-, oxime;NSC107923;NSC-107923

Chemical Property of 2, 3,7-Dimethyl-, oxime

Chemical Property:

• Vapor Pressure: 0.000907mmHg at 25°C
• Boiling Point: 270.3°C at 760 mmHg
• Flash Point: 157.5°C
• PSA: 32.59000
• Density: 0.86g/cm³
• LogP: 3.13910
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 167.131014166
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

CitralOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CC=NO)C)C
• Isomeric SMILES: CC(=CCC/C(=C\C=N\O)/C)C

Technology Process of 2, 3,7-Dimethyl-, oxime

There total 2 articles about 2, 3,7-Dimethyl-, oxime 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: 82.0%

(E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → 3,7-dimethylocta-2,6-dienal oxime (13372-77-5)

Guidance literature:

With hydroxylamine hydrochloride; In water; at 20 ℃; for 0.00555556h; Reagent/catalyst; Catalytic behavior; Green chemistry;

DOI:10.1039/d0ra08244a

Reference yield: 50.0%

methanol (67-56-1) + (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → citral dimethyl acetal (7549-37-3) + 3,7-dimethylocta-2,6-dienal oxime (13372-77-5)

Guidance literature:

With hydroxylamine hydrochloride; lithium carbonate; at 20 ℃; for 0.5h; chemoselective reaction;

DOI:10.1080/00397911.2010.523156

Reference yield: 98.0%

3,7-dimethylocta-2,6-dienal oxime (13372-77-5) → (E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8)

Guidance literature:

With aluminum oxide; tripropylammonium fluorochromate (VI); In dichloromethane; for 0.5h;

DOI:10.1081/SCC-120001501

upstream raw materials:

(E/Z)-3,7-dimethyl-2,6-octadienal

methanol

Downstream raw materials:

geranonitrile

(E/Z)-3,7-dimethyl-2,6-octadienal

3,7-dimethyl-octa-2c,6-dienoic acid amide

(2E)-3,7-dimethylocta-2,6-dienamide

Refernces

• 1、 Sorkhabi, Serve,Ghadermazi, Mohammad,Mozafari, Roya. "Adhesive functionalized ascorbic acid on CoFe2O4: A core-shell nanomagnetic heterostructure for the synthesis of aldoximes and amines". . p. 41336 - 41352. Retrieved 2020/11/30.
• 2、 Mickelsen, Ky J.,Tajc, Chelsea M.,Greenwood, Kevin R.,Browder, Cindy C.. "Method for the selective formation of dimethyl acetals in the presence of hydroxylamine". experimental part. p. 186 - 194. Retrieved 2011/10/31.