1-N-Boc-Pentane-1,3-diamine hydrochloride

Base Information

• Chemical Name: 1-N-Boc-Pentane-1,3-diamine hydrochloride
• CAS No.: 210240-75-8
• Molecular Formula: C10H22 N2 O2
• Molecular Weight: 202.297
• Hs Code.: 2921290000
• DSSTox Substance ID: DTXSID10704264
• Mol file: 210240-75-8.mol

Synonyms:210240-75-8;1-N-Boc-Pentane-1,3-diamine hydrochloride;1-N-Boc-pentane-1,3-diamine-HCl;1-n-boc-pentane-1,3-diamine HCl;tert-butyl N-(3-aminopentyl)carbamate;hydrochloride;1-N-Boc-3-pentane-1,3-diamine;DTXSID10704264;MFCD16295147;AKOS015923397;SB35355;AS-49560;1-N-Boc-Pentane-1,3-diaminehydrochloride;FT-0660210;I11750;A879297;Carbamicacid,(3-aminopentyl)-,1,1-dimethylethylester(9CI);tert-Butyl (3-aminopentyl)carbamate--hydrogen chloride (1/1);1269470-16-7

Chemical Property of 1-N-Boc-Pentane-1,3-diamine hydrochloride

Chemical Property:

• Boiling Point: 299.5±23.0 °C(Predicted)
• PKA: 12.77±0.46(Predicted)
• PSA: 64.35000
• Density: 0.963±0.06 g/cm3(Predicted)
• LogP: 2.72970
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 238.1448057
• Heavy Atom Count: 15
• Complexity: 176

Purity/Quality:

97% ^*data from raw suppliers

1-N-Boc-Pentane-1,3-diaminehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CCNC(=O)OC(C)(C)C)N.Cl

Technology Process of 1-N-Boc-Pentane-1,3-diamine hydrochloride

There total 2 articles about 1-N-Boc-Pentane-1,3-diamine hydrochloride 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%

tert-butyl phenyl carbonate (6627-89-0) + 1,3-diaminopentane (589-37-7) → tert-butyl (3-aminopentyl)carbamate (210240-75-8)

Guidance literature:

In ethanol; for 4h; Reflux;

Reference yield: 73.0%

tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate (13139-12-3) + 1,3-diaminopentane (589-37-7) → tert-butyl (3-aminopentyl)carbamate (210240-75-8)

Guidance literature:

In dichloromethane; 1.) -40 deg C, 3 h, 2.) -40 deg C to r.t., overnight;

DOI:10.1080/00304949809355294

Reference yield: 68.0%

benzyl chloroformate (501-53-1,94274-21-2) + tert-butyl (3-aminopentyl)carbamate (210240-75-8) → C18H28N2O4

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.5b01374

upstream raw materials:

tert-butyl 2,5-dioxopyrrolidin-1-yl carbonate

1,3-diaminopentane

tert-butyl phenyl carbonate