tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate

Base Information

• Chemical Name: tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate
• CAS No.: 194920-62-2
• Molecular Formula: C15H32 N2 O5
• Molecular Weight: 320.429
• Hs Code.: 2924199090
• European Community (EC) Number: 962-609-6
• DSSTox Substance ID: DTXSID50475305
• Nikkaji Number: J2.051.017J
• Wikidata: Q82305683
• Mol file: 194920-62-2.mol

Synonyms:194920-62-2;Boc-TOTA;tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate;N-Boc-4,7,10-trioxa-1,13-tridecanediamine;Tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;N-Boc-C1-PEG3-C3-NH2;MFCD04973133;tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate;C15H32N2O5;SCHEMBL220218;DTXSID50475305;WHHYAYNALHPDGJ-UHFFFAOYSA-N;3-[2-(2-(3-(Boc-amino)propyloxy)ethoxy)ethoxy]propylamine;BCP10867;AKOS015910107;AKOS015998947;CS-W004640;DS-1919;HY-W004640;s10596;BP-25466;SY029950;N-Boc-4,7,10-trioxatridecane-1,13-diamine;EN300-706229;J-012623;1-(t-Butyloxycarbonyl-amino)-4,7,10-trioxa-13-tridecanamine;1-(tert-butoxycarbonylamino)-4,7,10-trioxa-13-tridecanamine;N-Boc-4,7,10-trioxa-1,13-tridecanediamine, >=95.0% (NT);tert-butyl 3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propylcarbamate;tert-Butyl(3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate;tert-Butyl (3-(2-(2-(3-aminopropoxy)-ethoxy)ethoxy)propyl)carbamate

Chemical Property of tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate

Chemical Property:

• Boiling Point: 432.4±35.0 °C(Predicted)
• PKA: 12.66±0.46(Predicted)
• PSA: 92.04000
• Density: 1.035 g/mL at 20 °C
• LogP: 2.39100
• Storage Temp.: Store at?0-5°C
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 320.23112213
• Heavy Atom Count: 22
• Complexity: 269

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl(3-(2-(2-(3-Aminopropoxy)ethoxy)ethoxy)propyl)carbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCOCCOCCOCCCN
• Description: Boc-TOTA is a linker containing an amino group with a Boc-protected amino group. The amino group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc. The Boc group can be deprotected under mild acidic conditions to form the free amine.
• Uses: tert-Butyl (3-(2-(2-(3-Aminopropoxy)ethoxy)ethoxy)propyl)carbamate is used as a reactant in the synthesis of gallium-labeled PET imaging agents for CXCR4 for potential cancer diagnosis. Protected linker.

Technology Process of tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate

There total 2 articles about tert-Butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate 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%

2-nitro-1,4-di[1-(13-tert-butoxycarbonylamino-4,7,10-trioxatridecanylaminocarbonyloxy)ethyl]benzene (871487-56-8) → 2-nitroso-1-methylcarbonyl-4-[1-(13-tert-butoxycarbonylamino-4,7,10-trioxatridecanylaminocarbonyloxy)ethyl]benzene + tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate (194920-62-2)

Guidance literature:

In chloroform-d1; at 25 ℃; for 2h; Further Variations:; Solvents; reaction times, UV wavelengths; Product distribution; Kinetics; Irradiation;

DOI:10.1016/j.tetlet.2005.09.077

Reference yield: 67.0%

4,7,10-trioxa-1,13-diaminotridecane (4246-51-9) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate (320635-20-9) + tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate (194920-62-2)

Guidance literature:

In methanol; at 0 ℃; for 0.0166667h; Flow reactor;

DOI:10.1021/ol503343b

Reference yield: 100.0%

N-Cbz-L-Phe (1161-13-3) + tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate (194920-62-2) → Cbz-Phe-NH-C10H20O3-NH-Boc (864282-46-2)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2009.04.063

upstream raw materials:

2-nitro-1,4-di[1-(13-tert-butoxycarbonylamino-4,7,10-trioxatridecanylaminocarbonyloxy)ethyl]benzene

4,7,10-trioxa-1,13-diaminotridecane

di-tert-butyl dicarbonate

Downstream raw materials:

5-tert-butoxycarbonylamino-N-(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propyl)-isophthalamic acid 2,3,5,6-tetrafluoro-phenyl ester

{3-nitro-5-[3-(2-{2-[3-(t-Boc-amino)propoxy]ethoxy}ethoxy)propylaminocarbonyl]phenyl}-α-D-galactopyranoside

3-(N-(3-(2-(2-(3-((tert-butoxy)-carbonylamino)propoxy)ethoxy)ethoxy)propyl)carbamoyl)-propanoic acid

3-[(3-{2-[2-(3-tert-butoxycarbonylamino-propoxy)-ethoxy]-ethoxy}-propylamino)-methyl]-4-fluoro-benzoic acid tert-butyl ester