Clenbuterol

Base Information

• Chemical Name: Clenbuterol
• CAS No.: 37148-27-9
• Deprecated CAS: 50306-01-9
• Molecular Formula: C12H18Cl2N2O
• Molecular Weight: 277.194
• Hs Code.: 29221990
• European Community (EC) Number: 253-366-0
• UNII: XTZ6AXU7KN
• DSSTox Substance ID: DTXSID7022833
• Nikkaji Number: J19.704A,J261.530D
• Wikipedia: Clenbuterol
• Wikidata: Q223412
• NCI Thesaurus Code: C65335
• Pharos Ligand ID: 3PYL7VHCQGC3
• Metabolomics Workbench ID: 146067
• ChEMBL ID: CHEMBL49080
• Mol file: 37148-27-9.mol

Synonyms:Clenbuterol;NAB 365;NAB-365;NAB365;Planipart

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Chemical Property of Clenbuterol

Chemical Property:

• Appearance/Colour: White crystalline solid
• Boiling Point: 404.921 °C at 760 mmHg
• PKA: 13.29±0.20(Predicted)
• Flash Point: 198.689 °C
• PSA: 58.28000
• Density: 1.251 g/cm ³
• LogP: 3.96920
• Storage Temp.: 0-6°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.0796186
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
• Recent ClinicalTrials: Muscle Memory After Treatment With Anabolic Substance Clenbuterol and Resistance Training in Humans
• Recent EU Clinical Trials: Targeting the beta-2 adrenergic pathway to improve skeletal muscle
• Recent NIPH Clinical Trials: Combinational effect of clenbuterol chloride and anticholinergic drugs on female stress and mixed urinary incontinence
• Uses: bronchodilator, beta2 adrenergic agonist Substituted phenylethanolamine with β2 sympathomimetic activity. Bronchodilator.
• Therapeutic Function: Anti-asthmatic

Technology Process of Clenbuterol

There total 8 articles about Clenbuterol 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: 65.0%

2-(4-amino-3,5-dichlorophenyl)-N-(tert-butyl)-2-oxoacetamide (75136-79-7) → clenbuterol (37148-27-9,50499-60-0)

Guidance literature:

2-(4-amino-3,5-dichlorophenyl)-N-(tert-butyl)-2-oxoacetamide; With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 60 ℃; for 16h; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water; Inert atmosphere;

DOI:10.1021/jo3009337

Reference yield: 35.0%

1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one (37148-47-3) + tert-butylamine (75-64-9) → clenbuterol (37148-27-9,50499-60-0)

Guidance literature:

1-(4-amino-3,5-dichlorophenyl)-2-bromoethan-1-one; tert-butylamine; In tetrahydrofuran; ethanol; at 0 - 20 ℃; for 4h; Inert atmosphere;

With potassium borohydride; In tetrahydrofuran; ethanol; for 2h; Cooling with ice;

With methanol; In tetrahydrofuran; ethanol; at 20 ℃; for 16h;

Reference yield:

4'-amino-2-(t-butylamino)-3',5'-dichloroacetophenone hydrochloride (37845-71-9) → clenbuterol (37148-27-9,50499-60-0)

Guidance literature:

aluminum nickel; In methanol;

upstream raw materials:

4'-amino-2-(t-butylamino)-3',5'-dichloroacetophenone hydrochloride

rac-1-(4-aminophenyl)-2-(tert-butylamino)ethanol

2-(4-amino-3,5-dichlorophenyl)-N-(tert-butyl)-2-oxoacetamide

2,6-dichloro-4-iodoaniline

Downstream raw materials:

5-(4-amino-3,5-dichlorophenyl)-3-tert-butyl-2-oxazolidinone

N-[2-(4-Amino-3,5-dichloro-phenyl)-2-(1,2-dimethyl-propyl-dimethyl-silyloxy)-ethyl]-N-t-butylamine

Refernces

• 1、 Nielsen, Dennis U.,Neumann, Karoline,Taaning, Rolf H.,Lindhardt, Anders T.,Modvig, Amalie,Skrydstrup, Troels. "Palladium-catalyzed double carbonylation using near stoichiometric carbon monoxide: Expedient access to substituted 13C2-labeled phenethylamines". experimental part. p. 6155 - 6165. Retrieved 2012/09/21.
• 2、 -. "Combined doses". . . Retrieved 2008/06/13.