1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine

Base Information

• Chemical Name: 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine
• CAS No.: 5807-14-7
• Deprecated CAS: 1308663-28-6,1330822-87-1,1380207-47-5,1567797-33-4,170942-35-5,1872278-68-6,2000224-85-9,389623-48-7
• Molecular Formula: C7H13N3
• Molecular Weight: 139.2
• Hs Code.: 29335990
• European Community (EC) Number: 227-367-1
• UNII: KAF7GN82TM
• DSSTox Substance ID: DTXSID10206793
• Nikkaji Number: J218.068E
• Wikidata: Q7840264
• Mol file: 5807-14-7.mol

Synonyms:1,3,4,6,7,8-hexahydro-2H-pyrimido(1,2-a)pyrimidine;hppH cpd

Chemical Property of 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine

Chemical Property:

• Appearance/Colour: WHITE TO YELLOW CRYSTALS
• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 125-130 °C
• Refractive Index: 1.656
• Boiling Point: 222.3 °C at 760 mmHg
• PKA: 14.47±0.20(Predicted)
• Flash Point: 88.3 °C
• PSA: 27.63000
• Density: 1.28 g/cm³
• LogP: -0.25630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: toluene: soluble1 g/15 mL
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 139.110947427
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

98% ^*data from raw suppliers

1,5,7-Triazabicyclo[4.4.0]dec-5-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: C1CNC2=NCCCN2C1
• Uses: 1,5,7-Triazabicyclo[4.4.0]dec-5-ene may be used as organocatalyst for aminolysis of esters. It may be used as catalyst for direct addition of P(O)-H bonds (dialkyl phosphites and diphenyl phosphonite) across various activated alkenes. Polymer supported 1,5,7-triazabicyclo[4.4.0]dec-5-ene (PTBD) was used as a base and a reagent scavenger for the synthesis of aryl ethers from phenols and alkyl or aryl halides.

Technology Process of 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine

There total 23 articles about 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine 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: 95.0%

3,4,6,7,8,9-Hexahydro-2H-pyrimido<1,2-a>pyrimidin-hydrobromid (74569-04-3) → 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (5807-14-7,389623-48-7)

Guidance literature:

With sodium methylate; In ethanol; at 0 - 20 ℃; for 24h; Inert atmosphere; Large scale;

Reference yield: 93.0%

bis(3-aminopropyl)amine (56-18-8) + guanidine hydrochloride (50-01-1) → 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (5807-14-7,389623-48-7)

Guidance literature:

bis(3-aminopropyl)amine; guanidine hydrochloride; With hydrogenchloride; at 155 ℃;

With sodium methylate; In methanol;

DOI:10.1080/00397911.2010.519848

Reference yield: 87.0%

bis(3-aminopropyl)amine (56-18-8) + isooctyltriethoxysilane + carbonic acid dimethyl ester (616-38-6) → 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine (5807-14-7,389623-48-7)

Guidance literature:

bis(3-aminopropyl)amine; carbonic acid dimethyl ester; at 60 - 250 ℃; for 4h;

isooctyltriethoxysilane; at 250 ℃; for 9h; Temperature; Reagent/catalyst;

upstream raw materials:

1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine tetraphenylborate

1-(3-aminopropyl)tetrahydro-2(1H)-pyrimidinone

N-butylamine

benzyl alcohol

Downstream raw materials:

[(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine)(cyano)2(triphenylphosphine)4dicopper(I)]

Ti(C₇N₃H₁₂)2(CH₂-phenyl)2

1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine tetraphenylborate

(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineH)[SbCl3(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine(-1H))2]

Refernces

• 1、 -. "PROCESS FOR THE PRODUCTION OF CYCLIC GUANIDINE DERIVATES". . . Retrieved 2021/04/30.
• 2、 -. "Synthesis method of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene". . . Retrieved 2021/08/11.