Esreboxetine

Base Information

Chemical Name:Esreboxetine
CAS No.:98819-76-2
Molecular Formula:C₁₉H₂₃NO₃
Molecular Weight:313.397
Hs Code.:
UNII:L8S50ZY490
DSSTox Substance ID:DTXSID601009938
Nikkaji Number:J569.656I
Wikipedia:Esreboxetine
Wikidata:Q5399299
NCI Thesaurus Code:C175719
Pharos Ligand ID:C7VY6F2T6RYT
Metabolomics Workbench ID:42636
ChEMBL ID:CHEMBL180101
Mol file:98819-76-2.mol

Synonyms:(+)-(2S)-2-((S)-(2-ethoxyphenoxy)phenylmethyl)morpholine;esreboxetine

Suppliers and Price of Esreboxetine

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

TRC
(S,S)-Reboxetine
0.5mg
$ 165.00

American Custom Chemicals Corporation
S,S-REBOXETINE 95.00%
10MG
$ 367.50

Total 12 raw suppliers

Chemical Property of Esreboxetine

Chemical Property:

PSA：39.72000
Density:1.113 g/cm³
LogP:3.52260
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:313.16779360
Heavy Atom Count:23
Complexity:333

Purity/Quality:

98%Min ^*data from raw suppliers

(S,S)-Reboxetine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3
Isomeric SMILES:CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
Recent ClinicalTrials:Open Label Extension Study of [S,S]-Reboxetine in Patients With Fibromyalgia
Recent EU Clinical Trials:Depressions-Spektrums-St?rung und differenzielle Effekte neuerer Antidepressiva auf die Verkehrssicherheit
Uses (S,S)-Reboxetine is a stereoisomer of Reboxetine (R142000, Mesylate), a selective noradrenaline reuptake inhibitor.

Technology Process of Esreboxetine

There total 108 articles about Esreboxetine 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:

: 93886-32-9,98769-79-0,98769-80-3,98819-75-1
(2RS,3RS)-6-<α-(2-ethoxyphenoxy)benzyl>morpholin-3-one

: 71620-89-8,71621-36-8,93851-86-6,98769-81-4,98769-83-6,98819-76-2,105017-38-7
reboxetine

Guidance literature:: With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; for 4h; Yield given; Ambient temperature;
DOI:10.1016/S0040-4020(01)96541-X

Reference yield:

: 40641-81-4
trans-2,3-epoxy-3-phenylpropan-1-ol

: 71620-89-8,71621-36-8,93851-86-6,98769-81-4,98769-83-6,98819-76-2,105017-38-7
reboxetine

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) NaOH / 1.) H₂O, 70 deg C; 2.) H₂O, 70 deg C, 2.5 h

2: 61 percent / pyridine / 2 h / -10 °C

3: 84 percent / Et₃N / CH₂Cl₂ / 0.5 h / 0 - 5 °C

4: 2N NaOH / dioxane / 4 h / Ambient temperature

5: 32percent NH₄OH / methanol / 6 h / sealed flask

6: 98 percent / Et₃N / CH₂Cl₂ / 0.5 h / -10 - -5 °C

7: 86 percent / t-BuOK / 2-methyl-propan-2-ol / 3 h / Ambient temperature

8: RED-AL / toluene / 4 h / Ambient temperature

With ammonium hydroxide; sodium hydroxide; potassium tert-butylate; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In 1,4-dioxane; pyridine; methanol; dichloromethane; toluene; tert-butyl alcohol;
DOI:10.1016/S0040-4020(01)96541-X

Reference yield:

: 98769-72-3,98819-72-8
(2RS,3RS)-3-(2-ethoxyphenoxy)-3-phenylpropene-1,2-epoxide

: 71620-89-8,71621-36-8,93851-86-6,98769-81-4,98769-83-6,98819-76-2,105017-38-7
reboxetine

Guidance literature:: Multi-step reaction with 4 steps

1: 32percent NH₄OH / methanol / 6 h / sealed flask

2: 98 percent / Et₃N / CH₂Cl₂ / 0.5 h / -10 - -5 °C

3: 86 percent / t-BuOK / 2-methyl-propan-2-ol / 3 h / Ambient temperature

4: RED-AL / toluene / 4 h / Ambient temperature

With ammonium hydroxide; potassium tert-butylate; triethylamine; sodium bis(2-methoxyethoxy)aluminium dihydride; In methanol; dichloromethane; toluene; tert-butyl alcohol;
DOI:10.1016/S0040-4020(01)96541-X