4-[(2-Methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride

Base Information

• Chemical Name: 4-[(2-Methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride
• CAS No.: 33545-98-1
• Molecular Formula: C9H21ClN2O2
• Molecular Weight: 224.731
• Hs Code.: 2924199090
• Mol file: 33545-98-1.mol

Synonyms:4-[(2-methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride

Chemical Property of 4-[(2-Methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride

Chemical Property:

• Vapor Pressure: 0.00179mmHg at 25°C
• Boiling Point: 292.9 °C at 760 mmHg
• Flash Point: 130.9 °C
• PSA: 64.35000
• LogP: 3.14320
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 224.1291556
• Heavy Atom Count: 14
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

Tert-Butyl(4-Aminobutyl)CarbamateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCC[NH3+].[Cl-]

Technology Process of 4-[(2-Methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride

There total 7 articles about 4-[(2-Methylpropan-2-yl)oxycarbonylamino]butylazanium;chloride 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%

N-t-butoxycarbonyl-4-azidobutylamine (129392-85-4) → N-(4-aminobutyl)carbaminsaeure-(tert-butyl)ester-hydrochlorid (33545-98-1)

Guidance literature:

With chloroform; hydrogen; palladium on activated charcoal; In methanol; for 1h; under 1551.4 Torr;

DOI:10.1055/s-1990-26879

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → N-(4-aminobutyl)carbaminsaeure-(tert-butyl)ester-hydrochlorid (33545-98-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 98 percent / CH₂Cl₂ / 12 h

2: triethylamine / toluene / 0.08 h / 0 °C

3: NaN₃ / tetrabutylammonium bromide / toluene; H₂O / 3 h / 60 °C

4: 100 percent / H₂, CHCl₃ / Pd-C / methanol / 1 h / 1551.4 Torr

With sodium azide; chloroform; hydrogen; triethylamine; palladium on activated charcoal; tetrabutylammomium bromide; In methanol; dichloromethane; water; toluene;

DOI:10.1055/s-1990-26879

Reference yield:

(4-hydroxybutyl)carbamic acid tert-butyl ester (75178-87-9) → N-(4-aminobutyl)carbaminsaeure-(tert-butyl)ester-hydrochlorid (33545-98-1)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / toluene / 0.08 h / 0 °C

2: NaN₃ / tetrabutylammonium bromide / toluene; H₂O / 3 h / 60 °C

3: 100 percent / H₂, CHCl₃ / Pd-C / methanol / 1 h / 1551.4 Torr

With sodium azide; chloroform; hydrogen; triethylamine; palladium on activated charcoal; tetrabutylammomium bromide; In methanol; water; toluene;

DOI:10.1055/s-1990-26879

upstream raw materials:

1-amino-4-[(tert-butyloxycarbonyl)amino]butane

N-t-butoxycarbonyl-4-azidobutylamine

N-(tert-butyloxycarbonyl) azide

di-tert-butyl dicarbonate

Downstream raw materials:

Z-NH-(CH₂)4-NH-Boc

N-t-butoxycarbonyl-4-azidobutylamine

N⁽¹⁾-Boc-N⁽⁴⁾-benzenesulfonyl-1,4-diaminobutane

N⁽¹⁾-Boc-N⁽⁴⁾-benzoyl-1,4-diaminobutane

Refernces

• 1、 Lee, Jae Wook,Jun, Sung Im,Kim, Kimoon. "An efficient and practical method for the synthesis of mono-N-protected α,ω-diaminoalkanes". . p. 2709 - 2711. Retrieved 2007/10/03.
• 2、 Hansen, J. B.,Nielsen, M. C.,Ehrbar, U.,Buchardt, O.. "Partially Protected Polyamines". . p. 404 - 405. Retrieved 2007/10/02.