Tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate

Base Information

• Chemical Name: Tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate
• CAS No.: 82409-04-9
• Molecular Formula: C11H25N3O2
• Molecular Weight: 231.338
• European Community (EC) Number: 621-334-9
• DSSTox Substance ID: DTXSID201179949
• Nikkaji Number: J876.425E
• Mol file: 82409-04-9.mol

Synonyms:BOC-3,3'-IMINODIPROPYLAMINE;Tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate;82409-04-9;SCHEMBL12502050;DZFPOUXCPWBUDA-UHFFFAOYSA-N;DTXSID201179949;AKOS017549849;N1-Boc-3,3'-iminodipropylamine, >=97.0% (NT);tert-butyl (3-((3-aminopropyl)amino)propyl)carbamate;tert-butyl (3-((3-aminopropyl)amino)propyl)-carbamate;N-[3-(tert-Butoxycarbonylamino)propyl]-1,3-propanediamine;1,1-Dimethylethyl N-[3-[(3-aminopropyl)amino]propyl]carbamate

Chemical Property of Tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate

Chemical Property:

• Refractive Index: n20/D 1.474
• Flash Point: 125oC
• PSA: 76.38000
• Density: 1.001 g/mL at 20oC(lit.)
• LogP: 2.32170
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 231.19467705
• Heavy Atom Count: 16
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

BOC-3,3'-IMINODIPROPYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate

There total 12 articles about Tert-butyl N-[3-(3-aminopropylamino)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: 98.0%

N1-tert-butoxycarbonyl-N3-(2-cyanoethyl)-1,3-propanediamine (181780-44-9) → tert-butyl N-{3-[(3-aminopropyl)amino]propyl}carbamate (82409-04-9)

Guidance literature:

With sodium hydroxide; hydrogen; nickel; In ethanol; water; for 3h; under 760 Torr; Ambient temperature; pH 10;

Reference yield: 91.0%

bis(3-aminopropyl)amine (56-18-8) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl N-{3-[(3-aminopropyl)amino]propyl}carbamate (82409-04-9)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.bmc.2012.04.009

Reference yield: 62.0%

bis(3-aminopropyl)amine (56-18-8) + tert-butyl phenyl carbonate (6627-89-0) → tert-butyl N-{3-[(3-aminopropyl)amino]propyl}carbamate (82409-04-9) + N1,N7-Bis(t-butoxycarbonyl)norspermidine hydrochloride (82409-03-8)

Guidance literature:

In methanol; at 20 ℃; for 120h; regioselective reaction;

DOI:10.1080/00304948.2012.697748

upstream raw materials:

bis(3-aminopropyl)amine

N-(tert-butyloxycarbonyl) azide

di-tert-butyl dicarbonate

bis[3-(t-butoxycarbonylamino)propyl]amine

Downstream raw materials:

C₄₁H₅₅N₇O₉

{3-[Benzyloxycarbonyl-(3-benzyloxycarbonylamino-propyl)-amino]-propyl}-carbamic acid tert-butyl ester

tert-butyl (3-((3-(((benzyloxy)carbonyl)amino)propyl)amino)propyl)carbamate

N¹-(tert-butoxycarbonyl)-N⁸-(2,3-dimethoxybenzoyl)norspermidine

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