4-Phenylbutenone oxime

Base Information

• Chemical Name: 4-Phenylbutenone oxime
• CAS No.: 21613-44-5
• Molecular Formula: C10H11 N O
• Molecular Weight: 161.203
• European Community (EC) Number: 220-752-5
• NSC Number: 326121,4692
• UNII: 6H23B9BUN4
• ChEMBL ID: CHEMBL589794
• Mol file: 21613-44-5.mol

Synonyms:4-Phenylbutenone oxime;2887-98-1;4-phenylbut-3-en-2-one oxime;Benzalacetone oxime;(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine;3-Buten-2-one, 4-phenyl-, oxime;NSC-4692;EINECS 220-752-5;2-Hydroxyimino-4-phenylbut-3-ene;Benzalacetonoxim;(E)-4-phenyl-3-buten-2-one oxime;(2E,3E)-4-phenylbut-3-en-2-one oxime;Benzylidene acetone oxime;3-buten-2-one, 4-phenyl-, oxime, (2E,3E)-;6H23B9BUN4;SCHEMBL9004106;4-phenyl-3-buten-2-one oxime;HMS552O03;NSC4692;3-Buten-2-one oxime, 4-phenyl;OGVPVEBIPIJKEJ-MFDVASPDSA-N;Methyl(2-phenylethenyl)ketone oxime;NSC 4692;MFCD00173870;NSC326121;STK709522;AKOS003239975;NSC-326121;21613-44-5;(2E,3E)-4-Phenyl-3-buten-2-one oxime #;(2E,3E)-N-hydroxy-4-phenylbut-3-en-2-imine;A820041;(E)-N-[(E)-1-methyl-3-phenyl-prop-2-enylidene]-hydroxylamine

Chemical Property of 4-Phenylbutenone oxime

Chemical Property:

• Vapor Pressure: 0.000387mmHg at 25°C
• Boiling Point: 304.3°Cat760mmHg
• Flash Point: 183.5°C
• Density: 0.97g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C=CC1=CC=CC=C1
• Isomeric SMILES: C/C(=N\O)/C=C/C1=CC=CC=C1

Technology Process of 4-Phenylbutenone oxime

There total 3 articles about 4-Phenylbutenone 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: 100.0%

(E)-benzalacetone (1896-62-4) → (E)-4-phenyl-3-buten-2-one oxime (21613-44-5)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; at 60 ℃; for 1h;

DOI:10.1055/s-0031-1289556

Reference yield:

(Z,E)-4-Phenyl-3-buten-2-on-oxim (21613-45-6) → (E)-4-phenyl-3-buten-2-one oxime (21613-44-5)

Guidance literature:

Umwandlung;

Reference yield:

→ (E)-4-phenyl-3-buten-2-one oxime (21613-44-5)

Guidance literature:

neben trans(?)-anti-Oxim;

upstream raw materials:

(E)-benzalacetone

(Z,E)-4-Phenyl-3-buten-2-on-oxim

Downstream raw materials:

4-phenyl-but-3-en-2-one O-(2-morpholin-4-yl-ethyl)-oxime

(E)-4-Phenyl-but-3-en-2-one O-(1-ethyl-pyrrolidin-2-ylmethyl)-oxime

(E)-4-Phenyl-but-3-en-2-one O-(1-ethyl-piperidin-3-yl)-oxime

(E)-4-Phenyl-but-3-en-2-one O-(2-dimethylamino-1-methyl-ethyl)-oxime