Phenadoxone

Base Information

• Chemical Name: Phenadoxone
• CAS No.: 467-84-5
• Molecular Formula: C₂₃H₂₉NO₂
• Molecular Weight: 351.489
• European Community (EC) Number: 207-400-6
• UNII: 375W3TA42N,JA58G2B3DF,QZG2ZB35VK
• DSSTox Substance ID: DTXSID70861963
• Nikkaji Number: J5.914E
• Wikipedia: Phenadoxone
• Wikidata: Q7181327
• NCI Thesaurus Code: C66364
• ChEMBL ID: CHEMBL2104551
• Mol file: 467-84-5.mol

Synonyms:Phenadoxone;Phenodoxone;Heptazone;Morphodone;467-84-5;Fenadossone [DCIT];Phenadoxone, (+)-;Fenadossone;Fenadoxona;Phenadoxonum;Fenadoxona [INN-Spanish];Phenadoxonum [INN-Latin];JA58G2B3DF;Phenadoxone [INN:BAN:DCF];4,4-Diphenyl-6-morpholino-3-heptanone;6-Morpholino-4,4-diphenyl-3-heptanone;Phenadoxone, (-)-;6-morpholin-4-yl-4,4-diphenylheptan-3-one;EINECS 207-400-6;QZG2ZB35VK;3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-;UNII-JA58G2B3DF;UNII-375W3TA42N;IDS-NP-005;DEA No. 9637;6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone;375W3TA42N;CB 11 [AS HYDROCHLORIDE];3-HEPTANONE, 4,4-DIPHENYL-6-MORPHOLINO-;3-Heptanone, 6-morpholino-4,4-diphenyl-, (+)-;3-Heptanone, 6-morpholino-4,4-diphenyl-;7576-92-3;3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-, (-)-;751417-63-7;Phenadoxon;PHENADOXONE [MI];UNII-QZG2ZB35VK;PHENADOXONE [INN];CB-11 FREE BASE;SCHEMBL25165;Phenadoxone [BAN:DCF:INN];CHEMBL2104551;DTXSID70861963;CHEBI:135484;LS-74500;6-tetrahydrooxazine-4,4-diphenyl-3-heptanone;6-(morpholin-4-yl)-4,4-diphenylheptan-3-one;6-(4-Morpholinyl)-4,4-diphenyl-3-heptanone #;Q7181327;7576-91-2

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Chemical Property of Phenadoxone

Chemical Property:

• Vapor Pressure: 3.83E-10mmHg at 25°C
• Melting Point: 75-76°
• Boiling Point: 500.3°Cat760mmHg
• PKA: pKa 6.89 (Uncertain)
• Flash Point: 256.4°C
• Density: 1.07g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 351.219829168
• Heavy Atom Count: 26
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Phenadoxone

There total 7 articles about Phenadoxone 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:

ethylmagnesium bromide (925-90-6) + 4-morpholin-4-yl-2,2-diphenyl-pentanenitrile (5424-13-5) → phenadoxone (467-84-5,7576-92-3,751417-63-7)

Guidance literature:

With toluene; anschliessend Erhitzen mit wss. HCl;

Reference yield:

Diphenylacetonitrile (86-29-3) → phenadoxone (467-84-5,7576-92-3,751417-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; NaNH₂

2: toluene / anschliessend Erhitzen mit wss. HCl

With sodium amide; toluene; benzene;

Reference yield:

4-(2-chloro-propyl)-morpholine (41821-45-8) → phenadoxone (467-84-5,7576-92-3,751417-63-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; NaNH₂

2: toluene / anschliessend Erhitzen mit wss. HCl

With sodium amide; toluene; benzene;

upstream raw materials:

ethylmagnesium bromide

(S)-4-morpholino-2,2-diphenyl-valeronitrile

4-morpholin-4-yl-2,2-diphenyl-pentanenitrile

ethylmagnesium iodide