Hydroxy Bosentan

Base Information

Chemical Name:Hydroxy Bosentan
CAS No.:253688-60-7
Deprecated CAS:242151-31-1
Molecular Formula:C₂₇H₂₉N₅O₇S
Molecular Weight:567.623
Hs Code.:29339900
UNII:VZ7YNJ87XH
Nikkaji Number:J1.435.835H
ChEMBL ID:CHEMBL3901721
Mol file:253688-60-7.mol

Synonyms:4-(2-hydroxy-1,1-dimethyl-ethyl)-N-(6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-2-purin-6-yl-pyrimidin-6-yl)-benzenesulfonamide;Ro 48-5033

Suppliers and Price of Hydroxy Bosentan

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
HydroxyBosentan
1mg
$ 215.00

Cayman Chemical
Hydroxy Bosentan ≥98%
1mg
$ 192.00

Cayman Chemical
Hydroxy Bosentan ≥98%
500μg
$ 101.00

Cayman Chemical
Hydroxy Bosentan ≥98%
5mg
$ 754.00

AK Scientific
HydroxyBosentan
1mg
$ 338.00

Total 19 raw suppliers

Chemical Property of Hydroxy Bosentan

Chemical Property:

Melting Point:128-132°C
Boiling Point:783.9±70.0 °C(Predicted)
PKA:3.90±0.10(Predicted)
Flash Point:427.9oC
PSA：174.26000
Density:1.372±0.06 g/cm3(Predicted)
LogP:4.33010
Storage Temp.:-20°C Freezer, Under Inert Atmosphere
XLogP3:2.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:12
Exact Mass:567.17876945
Heavy Atom Count:40
Complexity:862

Purity/Quality:

99% ^*data from raw suppliers

HydroxyBosentan ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
Uses Hydroxy Bosentan is a metabolite of Bosentan, a mixed endothelin receptor antagonist which is used as a vasodilator The active metabolite of Bosentan, a mixed endothelin receptor antagonist which is used as a vasodilator.

Technology Process of Hydroxy Bosentan

There total 5 articles about Hydroxy Bosentan 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:

: C₂₅H₂₄ClN₅O₅S

: 107-21-1
ethylene glycol

: 253688-60-7
[14C]-Ro 48-5033

Guidance literature:: With tetrabutylammomium bromide; potassium carbonate; In acetonitrile; at 100 ℃; for 12h;

Reference yield:

: 57625-74-8
methyl 2-methyl-2-phenylpropionate

: 253688-60-7
[14C]-Ro 48-5033

Guidance literature:: Multi-step reaction with 5 steps

1: ammonium chloride; chlorosulfonic acid / 0.5 h / 75 °C

2: sodium hydroxide; methanol / 12 h / 25 °C / Cooling with ice

3: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 3 h / 25 °C

4: potassium carbonate / dimethyl sulfoxide / 10 h / 100 °C

5: potassium carbonate; tetrabutylammomium bromide / acetonitrile / 12 h / 100 °C

With methanol; chlorosulfonic acid; sodium tetrahydroborate; boron trifluoride diethyl etherate; tetrabutylammomium bromide; potassium carbonate; ammonium chloride; sodium hydroxide; In tetrahydrofuran; dimethyl sulfoxide; acetonitrile;

Reference yield:

: C₁₁H₁₅NO₄S

: 253688-60-7
[14C]-Ro 48-5033

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide; methanol / 12 h / 25 °C / Cooling with ice

2: sodium tetrahydroborate; boron trifluoride diethyl etherate / tetrahydrofuran / 3 h / 25 °C

3: potassium carbonate / dimethyl sulfoxide / 10 h / 100 °C

4: potassium carbonate; tetrabutylammomium bromide / acetonitrile / 12 h / 100 °C

With methanol; sodium tetrahydroborate; boron trifluoride diethyl etherate; tetrabutylammomium bromide; potassium carbonate; sodium hydroxide; In tetrahydrofuran; dimethyl sulfoxide; acetonitrile;