Tert-butyl 3-(3-aminophenyl)propanoate

Base Information

• Chemical Name: Tert-butyl 3-(3-aminophenyl)propanoate
• CAS No.: 269071-88-7
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• European Community (EC) Number: 855-244-8
• DSSTox Substance ID: DTXSID90587436
• Wikidata: Q82479864

Synonyms:tert-butyl 3-(3-aminophenyl)propanoate;269071-88-7;SCHEMBL1178025;DTXSID90587436;PAXUMWVHPFOIIP-UHFFFAOYSA-N;AKOS019268236;tert-butyl3-(3-aminophenyl)propanoate;DB-110252;EN300-190455;G59922;3-(3-amino-phenyl)-propionic acid tert-butyl ester

Chemical Property of Tert-butyl 3-(3-aminophenyl)propanoate

Chemical Property:

• PSA: 52.32000
• LogP: 3.12430
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

tert-butyl3-(3-aminophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCC1=CC(=CC=C1)N

Technology Process of Tert-butyl 3-(3-aminophenyl)propanoate

There total 1 articles about Tert-butyl 3-(3-aminophenyl)propanoate 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: 100.0%

tert-butyl 3-nitrocinnamic acid (942232-49-7) → (3-amino-phenyl)-propionic acid tert-butyl ester (269071-88-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In 1,4-dioxane;

DOI:10.1021/jm070139l

Reference yield: 100.0%

(3-amino-phenyl)-propionic acid tert-butyl ester (269071-88-7) + (1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-2,4-dioxo-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl)-acetic acid (795315-40-1) → 3-(3-(2-(1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-2,4-dioxo-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl)-acetylamino)-phenyl)-propionic acid tert-butyl ester

Guidance literature:

With dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1016/j.bmc.2007.12.047

Reference yield: 91.0%

(3-amino-phenyl)-propionic acid tert-butyl ester (269071-88-7) + (5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetic acid (528882-12-4) → C35H46N4O5 (942232-07-7)

Guidance literature:

With dmap; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

DOI:10.1021/jm070139l

upstream raw materials:

tert-butyl 3-nitrocinnamic acid

Downstream raw materials:

C₃₅H₄₆N₄O₅

C₃₆H₄₆N₄O₅

3-(3-(2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-phenyl)-propionic acid

3-(3-(2-(5-cyclohexyl-1-(2-cyclopentyl-2-oxo-ethyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-acetylamino)-phenyl)-propionic acid

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