3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate

Base Information

• Chemical Name: 3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate
• CAS No.: 174689-39-5
• Molecular Formula: C₂H₂O₄*C₂₁H₂₇NO₂
• Molecular Weight: 415.486
• UNII: Z4G2GB3YHU
• DSSTox Substance ID: DTXSID20872468
• Wikipedia: SR_59230A
• ChEMBL ID: CHEMBL1256816
• Mol file: 174689-39-5.mol

Synonyms:3-(2-ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate;SR 59230A;SR-59230A;SR59230A

Chemical Property of 3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate

Chemical Property:

• Vapor Pressure: 1.27E-11mmHg at 25°C
• Boiling Point: 542.6°Cat760mmHg
• Flash Point: 281.9°C
• PSA: 116.09000
• Density: g/cm³
• LogP: 3.20240
• Storage Temp.: Store at RT
• Solubility.: DMSO: >10mg/mL
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 415.19948764
• Heavy Atom Count: 30
• Complexity: 433

Purity/Quality:

98%,99%, ^*data from raw suppliers

SR 59230A hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC=C1OCC(CNC2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O
• Isomeric SMILES: CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCCC3=CC=CC=C23)O.C(=O)(C(=O)O)O
• Uses: SR 59230A was used in the identification of β-adrenoceptors in rat aorta.3 It was tested as a potential therapeutic agent in improving cardiac function in rat model of heart failure.4

Technology Process of 3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate

There total 19 articles about 3-(2-Ethylphenoxy)-1-(1,2,3,4-tetrahydronaphth-1-ylamino)-2-propanol oxalate 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: 91.8%

oxalic acid (144-62-7,97993-78-7) + 3-(2-ethylphenoxy)-1[(1S)-1,2,3,4-tetrahydronaphth-1-ylamino]-(2R)-2-propanol → SR 59483A (174689-39-5)

Guidance literature:

In isopropyl alcohol;

DOI:10.1016/j.tetasy.2016.05.001

Reference yield: 90.2%

oxalic acid (144-62-7,97993-78-7) + 3-(2-ethylphenoxy)-1[(1R)-1,2,3,4-tetrahydronaphth-1-ylamino]-(2R)-2-propanol → SR 59231A (174689-39-5)

Guidance literature:

In isopropyl alcohol;

DOI:10.1016/j.tetasy.2016.05.001

Reference yield: 84.9%

oxalic acid (144-62-7,97993-78-7) + 1-(2-ethylphenoxy)-3-[[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]amino]-(2S)-2-propanol → (S)-1-(2-Ethyl-phenoxy)-3-[(S)-(1,2,3,4-tetrahydro-naphthalen-1-yl)amino]-propan-2-ol; compound with oxalic acid (174689-39-5)

Guidance literature:

In isopropyl alcohol;

DOI:10.1016/j.tetasy.2016.05.001

upstream raw materials:

(S)-1,2,3,4-tetrahydronapht-1-yl-amine

1-(2′-ethylphenoxy)-2,3-epoxy-propane

rac-3-(2-ethylphenoxy)propane-1,2-diol

oxalic acid

Refernces