(3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol

Base Information

Chemical Name:(3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol
CAS No.:66208-11-5
Molecular Formula:C13H19NO2
Molecular Weight:221.299
Hs Code.:2933399090
Nikkaji Number:J3.052.529I
ChEMBL ID:CHEMBL441907
Mol file:66208-11-5.mol

Synonyms:CHEMBL441907;(3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol;SCHEMBL3959125;BDBM50201704;(3S,4R)-4-(2,3-Dimethylphenoxy)-3-piperidinol

Suppliers and Price of (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol

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

American Custom Chemicals Corporation
IFOXETINE 95.00%
5MG
$ 496.49

Total 3 raw suppliers

Chemical Property of (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol

Chemical Property:

Vapor Pressure:1.7E-08mmHg at 25°C
Melting Point:127 - 129 °C
Boiling Point:439.4°C at 760 mmHg
Flash Point:219.5°C
PSA：41.49000
Density:1.146g/cm³
LogP:1.73380
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:221.141578849
Heavy Atom Count:16
Complexity:222

Purity/Quality:

99% ^*data from raw suppliers

IFOXETINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)OC2CCNCC2O)C
Isomeric SMILES:CC1=C(C(=CC=C1)O[C@@H]2CCNC[C@@H]2O)C

Technology Process of (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol

There total 9 articles about (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol 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%

: cis-4-(2,3-dimethyl-phenoxy)-3-hydroxy-piperidine-1-carboxylic acid benzyl ester

: 66208-11-5
cis-4-(2,3-dimethyl-phenoxy)-piperidin-3-ol

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃; for 1h; under 760 Torr;
DOI:10.1016/j.bmcl.2006.12.014

Reference yield:

: cis-4-(2,3-dimethyl-phenoxy)-6-oxa-1-aza-bicyclo[3.2.1]octan-7-one

: 66208-11-5
cis-4-(2,3-dimethyl-phenoxy)-piperidin-3-ol

Guidance literature:: With cathepsin B; at 37 ℃; for 2h;

Reference yield:

: 694-05-3
1,2,3,6-tetrahydropyridine

: 66208-11-5
cis-4-(2,3-dimethyl-phenoxy)-piperidin-3-ol

Guidance literature:: Multi-step reaction with 6 steps

1: 95 percent / aq. Na₂CO₃ / dioxane / 3 h / 20 °C

2: 64 percent / m-chloroperbenzoic acid / CH₂Cl₂ / 7 h / 20 °C

3: 37 percent / aq. NaOH / acetonitrile / 48 h / Heating

4: 50 percent / Ph₃P; DEAD / tetrahydrofuran / 48 h / 50 °C

5: 93 percent / NaOH / methanol / 1 h / 20 °C

6: 100 percent / H₂ / Pd/C / ethanol / 1 h / 20 °C / 760 Torr

With sodium hydroxide; hydrogen; sodium carbonate; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; diethylazodicarboxylate; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; methanol; ethanol; dichloromethane; acetonitrile; 4: Mitsunobu reaction;
DOI:10.1016/j.bmcl.2006.12.014