5H-Dibenzo[a,d]cyclohepten-5-one oxime

Base Information

• Chemical Name: 5H-Dibenzo[a,d]cyclohepten-5-one oxime
• CAS No.: 1021-91-6
• Molecular Formula: C15H11 N O
• Molecular Weight: 221.258
• Hs Code.: 2928000090
• European Community (EC) Number: 213-820-0
• NSC Number: 83397
• UNII: 5KB4I4FK3S
• DSSTox Substance ID: DTXSID20144637
• Nikkaji Number: J42.187A
• Mol file: 1021-91-6.mol

Synonyms:1021-91-6;5H-Dibenzo[a,d][7]annulen-5-one oxime;5H-Dibenzo[a,d]cyclohepten-5-one oxime;5H-Dibenzo(a,d)cyclohepten-5-one oxime;5H-Dibenzo[a,d]cyclohepten-5-one, oxime;EINECS 213-820-0;NSC 83397;5H-Dibenzo[a,d][7]annulen-5-oneoxime;BRN 2050520;5KB4I4FK3S;NSC-83397;5H-DIBENZO(a,d)CYCLOHEPTEN-5-ONE, OXIME;N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)hydroxylamine;NSC83397;5H-Dibenzo[a, oxime;UNII-5KB4I4FK3S;NCIOpen2_004677;SCHEMBL517486;DTXSID20144637;WLN: L C676 BYJ BUNQ;BAA02191;BCP32389;Dibenzo[a,d]cyclohepten-5-one oxime;MFCD00021100;AKOS022175227;BP-22897;BS-49922;LS-60850;CS-0439890;W11579;A852206;N-(2-tricyclo[9.4.0.0^{3,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)hydroxylamine

Chemical Property of 5H-Dibenzo[a,d]cyclohepten-5-one oxime

Chemical Property:

• Vapor Pressure: 4.61E-07mmHg at 25°C
• Melting Point: 187-188 °C
• Boiling Point: 398.4°Cat760mmHg
• PKA: 10.65±0.20(Predicted)
• Flash Point: 255.5°C
• PSA: 32.59000
• Density: 1.16g/cm³
• LogP: 3.28290
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 221.084063974
• Heavy Atom Count: 17
• Complexity: 306

Purity/Quality:

97% ^*data from raw suppliers

5H-DIBENZO(A,D)CYCLOHEPTEN-5-ONE OXIME Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NO

Technology Process of 5H-Dibenzo[a,d]cyclohepten-5-one oxime

There total 2 articles about 5H-Dibenzo[a,d]cyclohepten-5-one 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%

dibenzosuberenon (2222-33-5) → N-[tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine (1021-91-6)

Guidance literature:

With hydroxylamine hydrochloride; In pyridine; for 20h; Reflux; Inert atmosphere;

DOI:10.1002/chem.201302502

Reference yield:

→ N-[tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine (1021-91-6)

Guidance literature:

entspr. 5-OH-Verb., Hydroxylaminhydrochlorid;

Reference yield: 99.8%

N-[tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene]hydroxylamine (1021-91-6) → dibenzo[b,f]azocin-6(5H)-one (23112-88-1)

Guidance literature:

With Eaton’s reagent; at 100 ℃; for 0.5h; Concentration; Inert atmosphere;

upstream raw materials:

dibenzosuberenon

Downstream raw materials:

demexiptiline

dibenzosuberane

dibenzo[b,f]azocin-6(5H)-one

N-(3-aminopropionyl)-5,6-dihydro-11,12-didehydrodibenzo[b,f]azocine