Tert-butyl 2-(3-aminophenyl)-2-methylpropionate

Base Information

• Chemical Name: Tert-butyl 2-(3-aminophenyl)-2-methylpropionate
• CAS No.: 252209-97-5
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.326
• DSSTox Substance ID: DTXSID501216578

Synonyms:252209-97-5;tert-butyl 2-(3-aminophenyl)-2-methylpropionate;tert-butyl 2-(3-aminophenyl)-2-methylpropanoate;SCHEMBL7654956;NSWHJECJCZEFAF-UHFFFAOYSA-N;DTXSID501216578;AT34351;DB-221963;EN300-6747961;1,1-Dimethylethyl 3-amino-I+/-,I+/--dimethylbenzeneacetate

Chemical Property of Tert-butyl 2-(3-aminophenyl)-2-methylpropionate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 235.157228913
• Heavy Atom Count: 17
• Complexity: 278

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Tert-butyl 2-(3-aminophenyl)-2-methylpropionate

There total 1 articles about Tert-butyl 2-(3-aminophenyl)-2-methylpropionate 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:

2-methyl-2-(3-nitrophenyl)propionic acid t-butyl ester → tert-butyl 2-(3-aminophenyl)-2-methylpropionate (252209-97-5)

Guidance literature:

With hydrogen; 10% palladium on activated carbon; In ethanol; at 20 ℃; for 2h;

Reference yield: 64.0%

tert-butyl 2-(3-aminophenyl)-2-methylpropionate (252209-97-5) + (R)-(-)-2-oxo-3-amino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine (209223-35-8) + bis(trichloromethyl) carbonate (32315-10-9) → (R)-(-)-1-(2-oxo-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3.33333h;

Reference yield:

tert-butyl 2-(3-aminophenyl)-2-methylpropionate (252209-97-5) + (3R)-(-)-2-oxo-3-amino-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine + bis(trichloromethyl) carbonate (32315-10-9) → (R)-(-)-1-(2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea (252209-94-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 3.33333h;

Downstream raw materials:

(R)-(-)-1-(2-oxo-5-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl)-3-[3-(1-methyl-1-tert-butoxycarbonyl)ethylphenyl]urea

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