Hydroxybupropione

Base Information

Chemical Name:Hydroxybupropione
CAS No.:92264-81-8
Deprecated CAS:82793-84-8
Molecular Formula:C13H18ClNO2
Molecular Weight:255.744
Hs Code.:2922509090
UNII:V94F513635
DSSTox Substance ID:DTXSID101002894
Nikkaji Number:J523.812I
Wikipedia:Hydroxybupropion
Wikidata:Q18206601
Metabolomics Workbench ID:41935
ChEMBL ID:CHEMBL3544616
Mol file:92264-81-8.mol

Synonyms:Hydroxybupropione;1-(3-Chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one;

Suppliers and Price of Hydroxybupropione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Hydroxybupropion
10mg
$ 439.00

Sigma-Aldrich
(±)-Hydroxybupropion solution 1.0?mg/mL in acetonitrile, ampule of 1?mL, certified reference material, Cerilliant?
1 mL
$ 45.00

Sigma-Aldrich
(±)-Hydroxybupropion solution
066-1ml
$ 43.60

Medical Isotopes, Inc.
Hydroxybupropion min.95%
50 mg
$ 990.00

ChemScene
Hydroxybupropion 99.91%
5mg
$ 250.00

American Custom Chemicals Corporation
HYDROXYBUPROPIONE 95.00%
5MG
$ 497.02

Total 14 raw suppliers

Chemical Property of Hydroxybupropione

Chemical Property:

Appearance/Colour:Off-White Solid
Melting Point:121-123 °C
Boiling Point:393.9 °C at 760 mmHg
PKA:15.43±0.10(Predicted)
Flash Point:192 °C
PSA：49.33000
Density:1.15 g/cm³
LogP:2.66260
Storage Temp.:?20°C
Solubility.:Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Sligh
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:255.1026065
Heavy Atom Count:17
Complexity:268

Purity/Quality:

97% ^*data from raw suppliers

Hydroxybupropion ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xn
Hazard Codes:F,Xn
Statements: 11-20/21/22-36
Safety Statements: 16-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)CO
Uses A metabolite of Bupropion, an antidepressant. The compound exists mainly as cyclic acetal (2-hydroxy-2-(3?chlorophenyl)-355-trimethylmorpholine). See US Pat. # 6342496

Technology Process of Hydroxybupropione

There total 6 articles about Hydroxybupropione 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: 55.0%

: 34911-51-8
2-bromo-3'-chloropropiophenone

: 124-68-5
2-Amino-2-methyl-1-propanol

: 92264-81-8,82793-84-8
Hydroxybupropion

Guidance literature:: sodium iodide; In chloroform; Heating / reflux;

Reference yield:

: 34841-39-9,34911-55-2,144445-75-0,144445-76-1
bupropion

: 92264-81-8,82793-84-8
Hydroxybupropion

Guidance literature:: With NADPH; recombinant human CYP₂B₆; In phosphate buffer; at 37 ℃; pH=7.4; Further Variations:; Catalysts; Enzyme kinetics;
DOI:10.1007/s00228-003-0636-9

Reference yield:

: 34841-35-5
3'-chloro-propiophenone

: 92264-81-8,82793-84-8
Hydroxybupropion

Guidance literature:: Multi-step reaction with 2 steps

1: bromine / chloroform / 20 °C

2: sodium iodide / chloroform / Heating / reflux

With bromine; sodium iodide; In chloroform;