[2-[3,5-Bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;chloride

Base Information

• Chemical Name: [2-[3,5-Bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;chloride
• CAS No.: 406919-51-5
• Molecular Formula: C₂₂H₃₃NO₅*ClH
• Molecular Weight: 427.969
• Mol file: 406919-51-5.mol

Synonyms:[2-[3,5-bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;chloride

Chemical Property of [2-[3,5-Bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;chloride

Chemical Property:

• Vapor Pressure: 6.58E-10mmHg at 25°C
• Melting Point: 223°C dec.
• Boiling Point: 494.2°C at 760 mmHg
• Flash Point: 252.7°C
• PSA: 81.70000
• LogP: 5.35330
• Solubility.: DMSO, Methanol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 427.2125509
• Heavy Atom Count: 29
• Complexity: 541

Purity/Quality:

97% ^*data from raw suppliers

2-tert-Butylamino-3’,5’-dipivaloxyacetophenone,HydrochlorideSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)OC1=CC(=CC(=C1)C(=O)C[NH2+]C(C)(C)C)OC(=O)C(C)(C)C.[Cl-]

Technology Process of [2-[3,5-Bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;chloride

There total 4 articles about [2-[3,5-Bis(2,2-dimethylpropanoyloxy)phenyl]-2-oxoethyl]-tert-butylazanium;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: 30.0%

2-bromo-3',5'-dipivaloyloxyacetophenone (52223-86-6) + tert-butylamine (75-64-9) → 2-tert-butylamino-3',5'-dipivaloyloxyacetophenone hydrochloride (406919-51-5)

Guidance literature:

With hydrogenchloride; In dichloromethane; for 1h;

DOI:10.1002/jps.1055

Reference yield:

3,5-dihydroxyacetophenone (51863-60-6) → 2-tert-butylamino-3',5'-dipivaloyloxyacetophenone hydrochloride (406919-51-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / pyridine / 5 h / 20 °C

2: 67 percent / pyridinium bromide perbromate / acetic acid / 1 h / 20 °C

3: 30 percent / HCl / CH₂Cl₂ / 1 h

With pyridine; hydrogenchloride; pyridinium bromide perbromate; In dichloromethane; acetic acid;

DOI:10.1002/jps.1055

Reference yield:

pivaloyl chloride (3282-30-2) → 2-tert-butylamino-3',5'-dipivaloyloxyacetophenone hydrochloride (406919-51-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 77 percent / pyridine / 5 h / 20 °C

2: 67 percent / pyridinium bromide perbromate / acetic acid / 1 h / 20 °C

3: 30 percent / HCl / CH₂Cl₂ / 1 h

With pyridine; hydrogenchloride; pyridinium bromide perbromate; In dichloromethane; acetic acid;

DOI:10.1002/jps.1055

upstream raw materials:

2-bromo-3',5'-dipivaloyloxyacetophenone

tert-butylamine

3,5-dihydroxyacetophenone

pivaloyl chloride

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