Tert-butyl 6-aminohexanoate

Base Information

• Chemical Name: Tert-butyl 6-aminohexanoate
• CAS No.: 5514-98-7
• Molecular Formula: C10H21NO2
• Molecular Weight: 187.282
• DSSTox Substance ID: DTXSID50444319
• Wikidata: Q82262436
• Mol file: 5514-98-7.mol

Synonyms:Tert-butyl 6-aminohexanoate;5514-98-7;Hexanoic acid, 6-amino-, 1,1-dimethylethyl ester;6-Aminohexanoic acid tert-butyl ester;t-butyl-6-aminocaproate;t-Butyl 6-aminohexanoate;Tert-butyl6-aminohexanoate;tert-Butyl 6-aminocaproate;tert-butyl 6-amino-hexanoate;SCHEMBL1952053;DTXSID50444319;ARKHCHKVZVMJRX-UHFFFAOYSA-N;CS-B1584;MFCD12804788;AKOS010134683;BS-13844;EN300-93869;A1-13372;F8881-0264;Z600614496

Chemical Property of Tert-butyl 6-aminohexanoate

Chemical Property:

• Boiling Point: 74 °C(Press: 1 Torr)
• PKA: 10.51±0.10(Predicted)
• PSA: 52.32000
• Density: 0.932±0.06 g/cm3(Predicted)
• LogP: 2.54750
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 187.157228913
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

tert-Butyl6-aminohexanoate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 6-aminohexanoate

There total 9 articles about Tert-butyl 6-aminohexanoate 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: 97.0%

tert-butyl 6-(((benzyloxy)carbonyl)amino)hexanoate (158141-67-4) → 6-aminohexanoic acid tert-butyl ester (5514-98-7)

Guidance literature:

With hydrogen; 5% Pd(II)/C(eggshell); In tetrahydrofuran; ethanol; at 20 ℃; for 4h; under 760.051 Torr;

Reference yield: 91.0%

tert-butyl alcohol (75-65-0) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-aminohexanoic acid tert-butyl ester (5514-98-7)

Guidance literature:

6-aminohexanoic acid; With thionyl chloride; at 20 ℃; for 1.5h;

tert-butyl alcohol; With sodium hydrogencarbonate; at 20 ℃;

Reference yield: 87.0%

triethylamine (TEA) + tert-butyl 6-(((benzyloxy)carbonyl)amino)hexanoate (158141-67-4) → 6-aminohexanoic acid tert-butyl ester (5514-98-7)

Guidance literature:

palladium-carbon; In tetrahydrofuran;

upstream raw materials:

tert-butyl 6-(((benzyloxy)carbonyl)amino)hexanoate

6-(benzyloxycarbonylamino)hexanoic acid

6-aminohexanoic acid

6-amino-hexanoyl chloride

Downstream raw materials:

6-(7-nitrobenzofurazan-4-ylamino)hexanoic acid

Refernces

• 1、 Mohamed, Zain H.,Rhein, Cosima,Schmid, Benjamin,Tripal, Philipp,Kornhuber, Johannes,Arenz, Christoph. "Synthesis and characterization of a new two photon excitable acid sphingomyelinase FRET probe". . . Retrieved 2021/07/21.
• 2、 Peng, Lijie,Zhang, Zhensheng,Lei, Chong,Li, Shan,Zhang, Zhang,Ren, Xiaomei,Chang, Yu,Zhang, Yan,Xu, Yong,Ding, Ke. "Identification of New Small-Molecule Inducers of Estrogen-related Receptor α (ERRα) Degradation". supporting information. p. 767 - 772. Retrieved 2019/05/08.