ChemicalBook--->CAS DataBase List--->129138-58-5

129138-58-5

129138-58-5 Structure

129138-58-5 Structure
IdentificationBack Directory
[Name]

CLENBUTEROL D9
[CAS]

129138-58-5
[Synonyms]

Clenbuterol-D9
(±)-Clenbuterol D9 (trimethyl D9)
1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butyl-d9-amino)ethanol
4-Amino-α-(tert-butyl-d9-aminomethyl)-3,5-dichlorobenzyl alcohol
4-Amino-3,5-dichloro-α-[[(1,1-dimethylethyl-d9)amino]methyl]benzenemethanol
4-amino-3,5-dichloro-.α.-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]Benzenemethanol
4-amino-3,5-dichloro-.alpha.-[[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]methyl]Benzenemethanol
4-Amino-α-(tert-butyl-d9-aminomethyl)-3,5-dichlorobenzyl alcohol, 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butyl-d9-amino)ethanol
[EINECS(EC#)]

253-366-0
[Molecular Formula]

C12H9Cl2D9N2O
[MDL Number]

MFCD01863370
[MOL File]

129138-58-5.mol
[Molecular Weight]

286.248
Questions And AnswerBack Directory
[Synthesis]

In a dry reaction flask, the hydrochloride salt of the CLENBUTEROL D9 precursor compound ketone was added. Then, an aqueous solution of sodium hydroxide and the reducing agent sodium borohydride were slowly added to the reaction flask. The resulting reaction mixture was stirred overnight at 0°C. The reaction progress was monitored by TLC. After the reaction was complete, ethyl acetate and water were added, and the organic layer was separated. The aqueous layer was extracted twice with ethyl acetate. All organic layers were combined, dried with anhydrous magnesium sulfate, and the drying agent was removed by filtration. The filtrate was then concentrated under vacuum to obtain the target drug molecule, CLENBUTEROL D9.

CLENBUTEROL D9 Synthetic Route

Figure: CLENBUTEROL D9 Synthetic Route

Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

112-115°C
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Store in Freezer
[InChI]

InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/i1D3,2D3,3D3
[InChIKey]

STJMRWALKKWQGH-GQALSZNTSA-N
[SMILES]

C(C([2H])([2H])[2H])(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(O)C1C=C(C(N)=C(Cl)C=1)Cl
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

A -Agonist which can be used as a growth promoter in farm animals
[Uses]

A β-Agonist which can be used as a growth promoter in farm animals.
Safety DataBack Directory
[Hazard Codes ]

T,Xn
[Risk Statements ]

25-22
[Safety Statements ]

22-36/37/39-45
[RIDADR ]

UN2811 6.1/PG 3
[WGK Germany ]

WGK 3
[HS Code ]

28459000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
129138-58-5 suppliers list
Company Name: Guangzhou Yongxiang Biotechnology Co., Ltd.  Gold
Telephone: 16763000025
Website: www.chemicalbook.com/ShowSupplierProductsList1153155/0_EN.htm
Company Name: Guangzhou Xucheng Biotechnology Co., Ltd  Gold
Telephone: 16539527651
Website: www.chemicalbook.com/ShowSupplierProductsList293255/0_EN.htm
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Nanjing Sunlida Biological Technology Co., Ltd.  
Telephone: 025-57798810 18652991625
Website:
Company Name: TianJin Alta Scientific Co., Ltd.  
Telephone: 022-65378550-8551
Website: www.altascientific.cn
Company Name: Quality Control Solutions Ltd.  
Telephone: 0755-66853366 13670046396
Website: www.qcsrm.com
Company Name: Artis Biotech Co. Ltd.  
Telephone: 18108108965 18108108965
Website: artis-isotopes.com
Company Name: Shanghai wechem chemical co., ltd  
Telephone: 18824865657
Website: www.wechem.cn
Company Name: Shanghai Nafu Biotechnology Co., Ltd.  
Telephone: 021-58952328 13125124762
Website: http://www.nayuansu.com
Company Name: Chengdu Novel Biomedical Co., Ltd.  
Telephone: 028-85255396 18302801538
Website: http://www.cd-novel.com
Company Name: Shenzhen Regent Biochemical Technology Co., Ltd.  
Telephone: 0755-85201366 18938635012
Website: http://www.regentsciences.com/
Company Name: Shenzhen Polymeri Biochemical Technology Co., Ltd.  
Telephone: +86-400-002-6226
Website: https://www.rrkchem.com
Company Name: TOSUN PHARM  
Telephone: 020-66392521-118 18922260391
Website: www.toref.cn/
Company Name: Hebei Yanxi Chemical Co., Ltd.  
Telephone: +86-17531190177
Website: www.chemicalbook.com/manufacturer/hebei-yanxi-chemical-283/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.  
Telephone: +86-0551-65418684 +86-18949823763
Website: www.tnjchem.com
Tags:129138-58-5 Related Product Information
72332-33-3 125-71-3 89365-50-4 23031-32-5 2387-59-9 23828-92-4 2156-27-6 81262-93-3 184006-60-8 60211-57-6 1173021-09-4 1007459-98-4