2-Propanone, O-(phenylmethyl)oxime

Base Information

• Chemical Name: 2-Propanone, O-(phenylmethyl)oxime
• CAS No.: 3376-36-1
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• European Community (EC) Number: 608-905-8
• NSC Number: 514524
• UNII: XF7L4J73TU
• DSSTox Substance ID: DTXSID80187429
• Nikkaji Number: J51.013K
• Mol file: 3376-36-1.mol

Synonyms:2-Propanone, O-(phenylmethyl)oxime;O-Benzylacetoxime;2-PROPANONE, BENZYLOXIME;Acetone oxime benzyl ether;3376-36-1;Hydroxylamine, O-benzyl-N-isopropylidene-;Acetone, O-benzyloxime;NSC 514524;BRN 2554803;XF7L4J73TU;Acetone, O-benzyloxime (7CI,8CI);NSC-514524;NSC514524;Acetone O-benzyloxime;UNII-XF7L4J73TU;2-(benzyloxyimino)-propane;WLN: 1Y1&UNO1R;SCHEMBL678711;DTXSID80187429;(BENZYLOXY)(PROPAN-2-YLIDENE)AMINE;LS-122745

Chemical Property of 2-Propanone, O-(phenylmethyl)oxime

Chemical Property:

• Vapor Pressure: 0.0609mmHg at 25°C
• Boiling Point: 239.8°Cat760mmHg
• Flash Point: 83°C
• Density: 0.93g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NOCC1=CC=CC=C1)C

Technology Process of 2-Propanone, O-(phenylmethyl)oxime

There total 7 articles about 2-Propanone, O-(phenylmethyl)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: 98.96%

benzyl chloride (100-44-7) + acetone oxime (127-06-0) → acetone O-benzyloxime (3376-36-1)

Guidance literature:

acetone oxime; With potassium hydroxide; lithium hydroxide; In N,N-dimethyl acetamide; water; at 50 ℃;

benzyl chloride; In N,N-dimethyl acetamide; water; at 62 ℃; for 2.25h;

Reference yield: 92.0%

O-benzylhydoxylamine hydrochloride (2687-43-6) + acetone (67-64-1) → acetone O-benzyloxime (3376-36-1)

Guidance literature:

With sulfuric acid; for 10h; Heating;

Reference yield: 77.0%

acetone oxime (127-06-0) → acetone O-benzyloxime (3376-36-1)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.orglett.5b00594

upstream raw materials:

sodium ethanolate

benzyl chloride

acetone oxime

N-benzyloxyamine

Refernces

• 1、 Zhou, Chao,Lei, Tao,Wei, Xiang-Zhu,Ye, Chen,Liu, Zan,Chen, Bin,Tung, Chen-Ho,Wu, Li-Zhu. "Metal-free, redox-neutral, site-selective access to heteroarylamine via direct radical?radical cross-coupling powered by visible light photocatalysis". supporting information. p. 16805 - 16813. Retrieved 2020/11/09.
• 2、 Fernandes, Luciano,Fischer, Franciele L.,Ribeiro, Carolina W.,Silveira, Gustavo P.,Sa, Marcus M.,Nome, Faruk,Terenzi, Hernan. "Metal-free artificial nucleases based on simple oxime and hydroxylamine scaffolds". supporting information; experimental part. p. 4499 - 4502. Retrieved 2009/04/08.