4-Phenylimino-2-pentanone

Base Information

• Chemical Name: 4-Phenylimino-2-pentanone
• CAS No.: 880-12-6
• Molecular Formula: C11H13NO
• Molecular Weight: 175.23
• European Community (EC) Number: 652-106-7
• Nikkaji Number: J2.309.985C
• Mol file: 880-12-6.mol

Synonyms:4-phenylimino-2-pentanone;4-(phenylimino)-2-pentanone;4-phenyliminopentan-2-one;880-12-6;(4Z)-4-(phenylimino)pentan-2-one;2-phenylimino-4-pentanone;SCHEMBL347753;4-(phenylimino)-pentan-2-one;SCHEMBL5680219;JHTINWQRILLZLO-UHFFFAOYSA-N;MFCD00839526;STK364312;AKOS005429996;AKOS024333692;NCGC00342027-01;AB01333991-02;AE-641/02440019

Chemical Property of 4-Phenylimino-2-pentanone

Chemical Property:

• Melting Point: 47 - 48 °C
• PSA: 29.43000
• LogP: 2.75810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=NC1=CC=CC=C1)CC(=O)C

Technology Process of 4-Phenylimino-2-pentanone

There total 2 articles about 4-Phenylimino-2-pentanone 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: 90.0%

aniline (62-53-3) + acetylacetone (123-54-6,81235-32-7) → 4-(phenylimino)pentan-2-one (880-12-6)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 10h; Dean-Stark; Reflux; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.inorgchem.9b02785

Reference yield:

→ 4-(phenylimino)pentan-2-one (880-12-6)

Guidance literature:

DOI:10.1016/S0020-1693(00)95556-7 DOI:10.1021/ja01462a015

Reference yield: 82.0%

4-(phenylimino)pentan-2-one (880-12-6) + dimethylsilicon dichloride (75-78-5,30107-43-8) → C13H18ClNOSi*ClH

Guidance literature:

In benzene;

upstream raw materials:

aniline

acetylacetone

Downstream raw materials:

(1⁹S,4Z,6E,8S,16E)-13c-acetoxy-1³-acetyl-1^5,6,9c,11t-tetrahydroxy-15t-methoxy-1^2,7,9,4,8r,10t,12t,14c-octamethyl-1¹-phenyl-1¹H-18-oxa-2-aza-1(4,9)-furo[3',2':3,4]benzo[1,2-g]indola-cyclooctadecaphane-4,6,16-triene-1¹⁰,3-dione

C₁₁H₁₃Cl₂CoNO

Acetanilid

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