6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester

Base Information

• Chemical Name: 6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester
• CAS No.: 220156-99-0
• Molecular Formula: C18H30N2O5
• Molecular Weight: 354.447
• DSSTox Substance ID: DTXSID20478580
• Wikidata: Q82312060
• Mol file: 220156-99-0.mol

Synonyms:220156-99-0;6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester;N-Cbz-4,7,10-trioxa-1,13-tridecanediamine;benzyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate;(3-{2-[2-(3-Aminopropoxy)ethoxy]ethoxy}-propyl)-carbamic acid benzyl ester;CBZ-PEG4-NH2;SCHEMBL4654796;DTXSID20478580;MFCD11041140;AKOS030213498;MS-20868;CS-0379917;E85815;A1-05018;1-(benzyloxycarbonylamino)-4,7,10-trioxa-13-tridecanamine;benzyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate;3-(2-(2-(3-BENZYLOXYCARBONYLAMINOPROPOXY)ETHOXY)ETHOXY)PROPYLAMINE;(3-{2-[2-(3-Amino-propoxy)-ethoxy]-ethoxy}-propyl)-carbamic acid benzyl ester

Chemical Property of 6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester

Chemical Property:

• Boiling Point: 499.4±45.0 °C(Predicted)
• PSA: 95.53000
• Density: 1.099±0.06 g/cm3(Predicted)
• LogP: 2.60620
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 16
• Exact Mass: 354.21547206
• Heavy Atom Count: 25
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

Z-TOTA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCOCCOCCOCCCN

Technology Process of 6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester

There total 8 articles about 6,9,12-Trioxa-2-azapentadecanoic acid, 15-amino-, phenylmethyl ester 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: 74.0%

1-(benzyloxycarbonyl-amino)-4,7,10-trioxa-13-tridecanamine hydrochloride → benzyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate (220156-99-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ol500022n

Reference yield: 61.0%

4,7,10-trioxa-1,13-diaminotridecane (4246-51-9) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate (220156-99-0)

Guidance literature:

With triethylamine; In chloroform; at 0 - 20 ℃; for 27h;

DOI:10.1039/c9md00185a

Reference yield: 39.0%

4,7,10-trioxa-1,13-diaminotridecane (4246-51-9) → benzyl (3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)carbamate (220156-99-0) + (4-aminobutyl)carbamic acid benzyl ester (62146-62-7)

Guidance literature:

upstream raw materials:

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

benzyl chloroformate

tert-butyl N-(3-{2-[2-(3-aminopropoxy)ethoxy]ethoxy}propyl)carbamate

C₂₃H₃₈N₂O₇

Downstream raw materials:

1-(9H-fluoren-9-yl)-3,19-dioxo-2,8, 11,14,21-pentaoxa-4,18-diazatricosan-23-oic acid