Tert-butyl-[2-(2-chlorophenyl)-2-hydroxyethyl]azanium;chloride

Base Information

• Chemical Name: Tert-butyl-[2-(2-chlorophenyl)-2-hydroxyethyl]azanium;chloride
• CAS No.: 56776-01-3
• Molecular Formula: C12H19Cl2NO
• Molecular Weight: 264.195
• Hs Code.: 2922199090
• Mol file: 56776-01-3.mol

Synonyms:Hokunalin;Atenos;BENZYL ALCOHOL, alpha-(tert-BUTYLAMINO)METHYL-2-CHLORO-, HYDROCHLORIDE;C12H18ClNO.HCl;LS-42737

Chemical Property of Tert-butyl-[2-(2-chlorophenyl)-2-hydroxyethyl]azanium;chloride

Chemical Property:

• Appearance/Colour: Appearance White crystalline powder
• Melting Point: 163oC
• Boiling Point: 338.2 °C at 760 mmHg
• Flash Point: 158.3 °C
• PSA: 32.26000
• Density: 1.098 g/cm3
• LogP: 3.95440
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in methanol or water.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 263.0843696
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

Tulobuterol hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)[NH2+]CC(C1=CC=CC=C1Cl)O.[Cl-]
• Uses: Hydrochloride salt of Tulobuterol a sympathomimetic drug used as a transdermal patch, increases normal diaphragm muscle strength. A β-adrenergic receptor agonist, related structurally to Terbutaline (T109750).

Technology Process of Tert-butyl-[2-(2-chlorophenyl)-2-hydroxyethyl]azanium;chloride

There total 3 articles about Tert-butyl-[2-(2-chlorophenyl)-2-hydroxyethyl]azanium;chloride 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: 91.0%

tulobuterol (41570-61-0,152693-33-9,329183-10-0) → Tulobuterol hydrochloride (56776-01-3,73575-62-9,73626-66-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; isopropyl alcohol;

DOI:10.1134/S1070428020030045

Reference yield:

2-chloro-benzaldehyde (89-98-5) → Tulobuterol hydrochloride (56776-01-3,73575-62-9,73626-66-1)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium tert-butylate / dimethyl sulfoxide / 0.5 h / 5 - 20 °C

2: water / 48 h / 20 °C

3: hydrogenchloride / diethyl ether; isopropyl alcohol

With hydrogenchloride; potassium tert-butylate; In diethyl ether; water; dimethyl sulfoxide; isopropyl alcohol; 1: |Johnson-Corey-Chaykovsky Reaction;

DOI:10.1134/S1070428020030045

Reference yield:

o-chlorostyrene oxide (62717-50-4) → Tulobuterol hydrochloride (56776-01-3,73575-62-9,73626-66-1)

Guidance literature:

Multi-step reaction with 2 steps

1: water / 48 h / 20 °C

2: hydrogenchloride / diethyl ether; isopropyl alcohol

With hydrogenchloride; In diethyl ether; water; isopropyl alcohol;

DOI:10.1134/S1070428020030045

upstream raw materials:

2-chloro-benzaldehyde

o-chlorostyrene oxide

tulobuterol

Refernces