3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

Base Information

Chemical Name:3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid
CAS No.:81148-15-4
Molecular Formula:C15H23 N O4
Molecular Weight:281.352
Hs Code.:
UNII:G0SM48N856
DSSTox Substance ID:DTXSID801001809
Nikkaji Number:J413.176B
Wikidata:Q27225688
Metabolomics Workbench ID:66906
ChEMBL ID:CHEMBL767
Mol file:81148-15-4.mol

Synonyms:ALS 8123;ALS-8123

Suppliers and Price of 3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

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
EsmololAcid
250mg
$ 945.00

Medical Isotopes, Inc.
EsmololAcid
100 mg
$ 2120.00

American Custom Chemicals Corporation
ESMOLOL ACID 95.00%
5MG
$ 499.80

American Custom Chemicals Corporation
ESMOLOL ACID 95.00%
2.5MG
$ 300.00

Total 11 raw suppliers

Chemical Property of 3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

Chemical Property:

Vapor Pressure:2.92E-10mmHg at 25°C
Boiling Point:486.1°C at 760 mmHg
Flash Point:247.8°C
PSA：78.79000
Density:1.139g/cm³
LogP:1.83240
XLogP3:-0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:281.16270821
Heavy Atom Count:20
Complexity:275

Purity/Quality:

99%, ^*data from raw suppliers

EsmololAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)NCC(COC1=CC=C(C=C1)CCC(=O)O)O
Uses Esmolol Acid is the major metabolite of Esmolol (E668000), a cardioselective β-adrenergic blocker. Antiarrhythmic.

Technology Process of 3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid

There total 4 articles about 3-{4-[2-Hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid 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: 50.0%

: 81161-17-3
esmolol hydrochloride

: 81148-15-4
3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionic acid

Guidance literature:: esmolol hydrochloride; With bis(tri-n-butyltin)oxide; In toluene; for 48h; Reflux;

With water; In toluene; for 0.25h; Reflux;
DOI:10.1080/00397911.2010.530375

Reference yield:

: 501-97-3
4-hydroxyphenylpropionic acid

: 81148-15-4
3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1.1: Acidic conditions; Reflux

2.1: potassium carbonate / acetone / Reflux

3.1: methanol / Reflux

4.1: bis(tri-n-butyltin)oxide / toluene / 48 h / Reflux

4.2: 0.25 h / Reflux

With potassium carbonate; bis(tri-n-butyltin)oxide; In methanol; acetone; toluene;
DOI:10.1080/00397911.2010.530375

Reference yield:

: 5597-50-2
3-(4-hydroxyphenyl)propionic acid methyl ester

: 81148-15-4
3-<4-<2-hydroxy-3-(isopropylamino)propoxy>phenyl>propionic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate / acetone / Reflux

2.1: methanol / Reflux

3.1: bis(tri-n-butyltin)oxide / toluene / 48 h / Reflux

3.2: 0.25 h / Reflux

With potassium carbonate; bis(tri-n-butyltin)oxide; In methanol; acetone; toluene;
DOI:10.1080/00397911.2010.530375