1-Keto Bambuterol

Base Information

• Chemical Name: 1-Keto Bambuterol
• CAS No.: 112935-94-1
• Molecular Formula: C18H27N3O5
• Molecular Weight: 365.42400
• UNII: D8SFM5GU5Y
• DSSTox Substance ID: DTXSID60552838
• Nikkaji Number: J3.496.484J
• Wikidata: Q82433218
• Mol file: 112935-94-1.mol

Synonyms:1-Keto Bambuterol;112935-94-1;[3-[2-(tert-butylamino)acetyl]-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate;D8SFM5GU5Y;DTXSID60552838;BAMBUTEROL HYDROCHLORIDE IMPURITY F [EP IMPURITY];5-(N-tert-Butylglycyl)-1,3-phenylene bis(dimethylcarbamate);5-[(tert-butylamino)acetyl]-1,3-phenylene bis(dimethylcarbamate);C,C'-[5-[[(1,1-Dimethylethyl)amino]acetyl]-1,3-phenylene] bis(N,N-dimethylcarbamate);Carbamic acid, dimethyl-, 5-[[(1,1-dimethylethyl)amino]acetyl]-1,3-phenylene ester;Carbamic acid, N,N-dimethyl-, C,C'-[5-[[(1,1-dimethylethyl)amino]acetyl]-1,3-phenylene] ester

Chemical Property of 1-Keto Bambuterol

Chemical Property:

• Boiling Point: 494.1±45.0 °C(Predicted)
• PKA: 7.66±0.30(Predicted)
• PSA: 88.18000
• Density: 1.146±0.06 g/cm3(Predicted)
• LogP: 2.76910
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 365.19507097
• Heavy Atom Count: 26
• Complexity: 483

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-KetoBambuterol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(=O)C1=CC(=CC(=C1)OC(=O)N(C)C)OC(=O)N(C)C
• Uses: Bambuterol (B117500) impurity.

Technology Process of 1-Keto Bambuterol

There total 1 articles about 1-Keto Bambuterol 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:

bis-3',5'-(N,N-dimethylcarbamoyloxy)-ω-N-benzyl-tert-butylaminoacetophenone → C18H27N3O5 (112935-94-1)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; hydrogen; In methanol; water; at 20 ℃; for 0.666667h; under 1087.61 Torr; Pressure;

Refernces