Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate

Base Information

Chemical Name:Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate
CAS No.:360789-46-4
Molecular Formula:C₁₆H₂₁NO₄
Molecular Weight:291.347
Hs Code.:
DSSTox Substance ID:DTXSID901194647
Nikkaji Number:J1.771.950E

Synonyms:DTXSID901194647;360789-46-4;Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate

Suppliers and Price of Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:291.14705815
Heavy Atom Count:21
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)N(C(C)C)C(=O)C(=O)C1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate

There total 4 articles about Methyl 4-[2-[bis(1-methylethyl)amino]-2-oxoacetyl]benzoate 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:

: 99-90-1
para-bromoacetophenone

: 360789-46-4
Methyl N,N-bis(1-methylethyl)-α-oxo-benzeneacetamide-4-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / iPr₂NEt / [1,1'-bis(diphenylphosphino)ferrocene]dichloropalladium(II) / dimethylformamide; CH₂Cl₂ / 5 h / 70 °C

2: 88 percent / pyridine; SeO₂ / 3.5 h / 100 °C

3: oxalyl chloride; DMF / tetrahydrofuran / 2 h / 20 °C

4: 2.52 g / CH₂Cl₂ / 2 h / 20 °C

With pyridine; selenium(IV) oxide; oxalyl dichloride; N-ethyl-N,N-diisopropylamine; N,N-dimethyl-formamide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1055/s-2001-15056

Reference yield:

: 3609-53-8
methyl 4-acetylbenzoate

: 360789-46-4
Methyl N,N-bis(1-methylethyl)-α-oxo-benzeneacetamide-4-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 88 percent / pyridine; SeO₂ / 3.5 h / 100 °C

2: oxalyl chloride; DMF / tetrahydrofuran / 2 h / 20 °C

3: 2.52 g / CH₂Cl₂ / 2 h / 20 °C

With pyridine; selenium(IV) oxide; oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1055/s-2001-15056

Reference yield:

: 360789-45-3
4-Methoxycarbonyl-α-oxo-benzeneacetic acid

: 360789-46-4
Methyl N,N-bis(1-methylethyl)-α-oxo-benzeneacetamide-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride; DMF / tetrahydrofuran / 2 h / 20 °C

2: 2.52 g / CH₂Cl₂ / 2 h / 20 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane;
DOI:10.1055/s-2001-15056