1,7-Diaminoheptane

Base Information

• Chemical Name: 1,7-Diaminoheptane
• CAS No.: 646-19-5
• Molecular Formula: C7H18N2
• Molecular Weight: 130.233
• Hs Code.: 29212900
• European Community (EC) Number: 211-468-2
• NSC Number: 45777
• UNII: 3011L9B20C
• DSSTox Substance ID: DTXSID60214848
• Nikkaji Number: J149.770G
• Wikidata: Q27255888
• ChEMBL ID: CHEMBL28242
• Mol file: 646-19-5.mol

Synonyms:1,7-diaminoheptane;1,7-heptadiamine

Chemical Property of 1,7-Diaminoheptane

Chemical Property:

• Appearance/Colour: white to light yellow crystalline chunks
• Vapor Pressure: 0.0933mmHg at 25°C
• Melting Point: 26-29 °C(lit.)
• Refractive Index: 1.4590
• Boiling Point: 224 °C at 760 mmHg
• PKA: 10.95±0.10(Predicted)
• Flash Point: 87.8 °C
• PSA: 52.04000
• Density: 0.859 g/cm³
• LogP: 2.25490
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: 450g/l
• Water Solubility.: Soluble in water, ethanol, acetone, ether and benzene.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 130.146998583
• Heavy Atom Count: 9
• Complexity: 40.2

Purity/Quality:

97% ^*data from raw suppliers

Heptane-1,7-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCN)CCCN
• Uses: 1,7-Diaminoheptane is used in the preparation of 7-amino-1-guanidinooctane and 1,7-diamino-trans-hept-3-ene, which is used as a deoxyhypusine synthase inhibitor.

Technology Process of 1,7-Diaminoheptane

There total 10 articles about 1,7-Diaminoheptane 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: 61.0%

2,2'-(heptane-1,7-diyl)bis(isoindoline-1,3-dione) (37830-03-8) → heptane-1,7-diamine (646-19-5)

Guidance literature:

With hydrazine hydrate; In ethanol; at 80 ℃;

DOI:10.1021/acs.orglett.0c03006

Reference yield:

pimelonitrile (646-20-8) → heptane-1,7-diamine (646-19-5)

Guidance literature:

With sodium; butan-1-ol; at 145 ℃;

Reference yield:

→ heptane-1,7-diamine (646-19-5)

Guidance literature:

With benzene; at 60 - 65 ℃; Kochen des Reaktionsprodukts mit 20prozentig. HCl_.;

upstream raw materials:

pimelonitrile

1,7-heptanedicarboxamide

1,6-heptadiene

2-Hept-6-enyl-1,1,1,3,3,3-hexamethyl-disilazane

Downstream raw materials:

N₁,N₁,N₇,N₇-tetramethylheptane-1,7-diamine

C₃₁H₄₆N₂O₄

C₂₃H₃₀N₂O₂S₂

C₂₃H₂₈F₂N₂O₄

Refernces

Facile synthesis of a selectively protected triazamacrocycle

10.1016/S0040-4039(02)01756-2

The research focuses on the facile synthesis of a selectively protected triazamacrocycle, which is of synthetic interest due to its unique binding properties with metal ions and potential applications in biomedical fields such as magnetic resonance imaging and radioimmunotherapy. The study reports a method for the regioselective N-functionalization of azamacrocycles, which is scarce in the literature. The synthesis involves the selective homologation of 1,7-diaminoheptane with the novel reagent N-(2-nitrobenzenesulfonyl)aziridine, followed by a series of reactions to afford a selectively protected 14-membered triazamacrocyclic ring. Key chemicals used in the process include N-(2-nitrobenzenesulfonyl)aziridine, N-tert-butoxycarbonyl anhydride, diethylphosphoryl chloride (DEPCl), trifluoroacetic acid (TFA), bromoacetyl bromide, and potassium carbonate (K2CO3). The conclusion of the research is the development of a method for the synthesis of selectively protected triazamacrocycles, allowing for functionalization at any ring nitrogen atom, which is a significant advancement for the synthesis of larger or smaller sized azamacrocyclic rings.