Tert-butyl 2-(2-aminophenyl)acetate

Base Information

• Chemical Name: Tert-butyl 2-(2-aminophenyl)acetate
• CAS No.: 98911-34-3
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.272
• European Community (EC) Number: 872-656-3
• ChEMBL ID: CHEMBL5014110
• Mol file: 98911-34-3.mol

Synonyms:tert-butyl 2-(2-aminophenyl)acetate;98911-34-3;SCHEMBL5271185;CHEMBL5014110;PTYKJKMISAEJIZ-UHFFFAOYSA-N;AMY27651;tert-butyl2-(2-aminophenyl)acetate;AKOS000297717;CS-0260859;EN300-76142;G62106;Z802847742

Chemical Property of Tert-butyl 2-(2-aminophenyl)acetate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

tert-butyl2-(2-aminophenyl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CC1=CC=CC=C1N

Technology Process of Tert-butyl 2-(2-aminophenyl)acetate

There total 2 articles about Tert-butyl 2-(2-aminophenyl)acetate 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: 99.0%

2-(2-Nitrophenyl)essigsaeure-tert-butylester (98911-33-2) → 2-(2-Aminophenyl)essigsaeure-tert-butylester (98911-34-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; for 4h; under 2327.17 Torr;

DOI:10.1021/jo0499569

Reference yield:

2-(2-nitrophenyl)acetic acid (3740-52-1) → 2-(2-Aminophenyl)essigsaeure-tert-butylester (98911-34-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / CH₂Cl₂ / 20 °C

2: 99 percent / H₂ / Pd/C / ethanol; tetrahydrofuran / 4 h / 2327.17 Torr

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1021/jo0499569

Reference yield: 91.0%

2-(2-Aminophenyl)essigsaeure-tert-butylester (98911-34-3) + 4-Chlorobutanoyl chloride (4635-59-0) → [2-(4-Chloro-butyrylamino)-phenyl]-acetic acid tert-butyl ester (109049-82-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)88057-1

upstream raw materials:

2-(2-Nitrophenyl)essigsaeure-tert-butylester

2-(2-nitrophenyl)acetic acid

Downstream raw materials:

N-<2-(tert-Butoxycarbonylmethyl)phenyl>succinamsaeure

(2-{[1-Phenyl-meth-(E)-ylidene]-amino}-phenyl)-acetic acid tert-butyl ester

[2-(4-Chloro-butyrylamino)-phenyl]-acetic acid tert-butyl ester

2-phenyl-indole-3-carboxylic acid

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