Tert-butyl 4-aminobutanoate

Base Information

• Chemical Name: Tert-butyl 4-aminobutanoate
• CAS No.: 50479-22-6
• Molecular Formula: C8H17NO2
• Molecular Weight: 159.228
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30427241
• Wikidata: Q82239939
• Mol file: 50479-22-6.mol

Synonyms:Tert-butyl 4-aminobutanoate;50479-22-6;Butanoic acid, 4-amino-, 1,1-dimethylethyl ester;Tert-butyl4-aminobutanoate;SCHEMBL648724;N-(t-butoxycarbonyl)propylamine;tert.-butyl gamma-aminobutyrate;DTXSID30427241;XFZZZOMHBHBURH-UHFFFAOYSA-N;4-aminobutyric acid ter-butylester;AMY28749;4-aminobutyric acid tert-butyl ester;MFCD09923510;4-Aminobutanoic acid tert-butyl ester;AKOS010135090;BS-13512;CS-0032899;EN300-96253;4-amino-butanoic acid 1,1-dimethylethyl ester;10.14272/XFZZZOMHBHBURH-UHFFFAOYSA-N.1;A871540;doi:10.14272/XFZZZOMHBHBURH-UHFFFAOYSA-N.1;Z600614534

Chemical Property of Tert-butyl 4-aminobutanoate

Chemical Property:

• Boiling Point: 210.9±23.0 °C(Predicted)
• PKA: 9.67±0.10(Predicted)
• PSA: 52.32000
• Density: 0.948±0.06 g/cm3(Predicted)
• LogP: 1.76730
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 159.125928785
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-Aminobutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)CCCN

Technology Process of Tert-butyl 4-aminobutanoate

There total 4 articles about Tert-butyl 4-aminobutanoate 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: 99.2%

4-(((benzyloxy)carbonyl)amino)butyric acid tert-butyl ester (5105-79-3) → tert-butyl 4-aminobutanoate (50479-22-6)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 50 ℃;

Reference yield: 32.4%

isobutene (115-11-7,15220-85-6) + 4-amino-n-butyric acid (56-12-2) → tert-butyl 4-aminobutanoate (50479-22-6)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; at 20 ℃; for 24h;

DOI:10.1002/anie.200462465

Reference yield:

tert-butyl 4-isocyanatobutanoate (76197-90-5) → tert-butyl 4-aminobutanoate (50479-22-6)

Guidance literature:

With sodium trimethylsilanolate; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 0.333333h;

DOI:10.1016/j.tetlet.2009.11.038

upstream raw materials:

4-(((benzyloxy)carbonyl)amino)butyric acid tert-butyl ester

isobutene

4-amino-n-butyric acid

tert-butyl 4-isocyanatobutanoate

Downstream raw materials:

ethyl 5-(2-(benzyloxy)ethyl)-3-(3-(tert-butoxycarbonyl)propyl)-6-methyl-3H-pyrimidin-4-one-2-carboxylate

(S)-tert-butyl 4-(2-(benzyloxycarbonylamino)-4-methylpentanamido)butanoate

tert-butyl 4-benzamidobutanoate

4-(Acetyl-benzoyloxy-amino)-butyric acid tert-butyl ester