Arotinolol

Base Information

• Chemical Name: Arotinolol
• CAS No.: 68377-92-4
• Deprecated CAS: 52560-77-7
• Molecular Formula: C₁₅H₂₁N₃O₂S₃
• Molecular Weight: 371.549
• NSC Number: 317940
• UNII: 394E3P3B99
• DSSTox Substance ID: DTXSID3022619
• Nikkaji Number: J239.627K
• Wikipedia: Arotinolol
• Wikidata: Q4795601
• NCI Thesaurus Code: C72609
• Metabolomics Workbench ID: 152239
• ChEMBL ID: CHEMBL93298
• Mol file: 68377-92-4.mol

Synonyms:2-(3'-tert-butylamino-2'-hydroxypropylthio)-4-(5'-carbamoyl-2'-thienyl)thiazole hydrochloride;arotinolol;arotinolol hydrochloride;arotinolol, (+-)-isomer;S 596;S-596

Chemical Property of Arotinolol

Chemical Property:

• Appearance/Colour: White solid
• Melting Point: 148-149ºC
• Boiling Point: 599.8 °C at 760 mmHg
• PKA: 13.71±0.20(Predicted)
• Flash Point: 316.6 °C
• PSA: 170.02000
• Density: 1.35 g/cm³
• LogP: 3.90280
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 371.07959044
• Heavy Atom Count: 23
• Complexity: 406

Purity/Quality:

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

Arotinolol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
• Uses: Arotinolol is both and alpha- and beta-adrenoceptor antagonist and is used to treat essential tremors and hypertension.
• Therapeutic Function: Beta-adrenergic blocker

Technology Process of Arotinolol

There total 5 articles about Arotinolol 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: 98.9%

5-[2-[(3-chloro-2-hydroxypropyl)thio]-4-thiazolyl]-2-thiophenecarboxamide + tert-butylamine (75-64-9) → arotinolol (68377-92-4,139332-61-9,52560-77-7,92075-58-6)

Guidance literature:

In ethanol; at 75 ℃; for 16h; Temperature; Large scale;

Reference yield:

arotinolol hydrochloride (101540-26-5,68377-91-3) → arotinolol (68377-92-4,139332-61-9,52560-77-7,92075-58-6)

Guidance literature:

With sodium carbonate; In methanol; water; ethyl acetate; at 32 ℃; pH=10; pH-value; Temperature; Reagent/catalyst;

Reference yield:

5-(2-mercapto-1,3-thiazol-4-yl)-2-thiophene carboxamide (52560-89-1) → arotinolol (68377-92-4,139332-61-9,52560-77-7,92075-58-6)

Guidance literature:

In methanol; sodium hydroxide;

upstream raw materials:

5-(2-mercapto-1,3-thiazol-4-yl)-2-thiophene carboxamide

arotinolol hydrochloride

tert-butylamine

Downstream raw materials:

arotinolol hydrochloride

C₁₅H₂₁N₃O₂S₃

C₁₅H₂₁N₃O₂S₃

Refernces

• 1、 -. "Preparation process for arotinolol hydrochloride with high purity". . . Retrieved 2018/03/26.
• 2、 -. "THERAPY FOR COMPLICATIONS OF DIABETES". . . Retrieved 2009/07/02.