84030-20-6

Basic information

• Product Name: 1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDOL[1,2-A]PYRIMIDINE
• Synonyms: MTBD;7-METHYL-1,5,7-TRIAZABICYCLO[4.4.0]DEC-5-ENE;1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDO[1,2-A]PYRIMIDINE;1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDOL[1,2-A]PYRIMIDINE;1-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine;2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-;1,3,4,6,7,8-hexahydro-1-methyl-2H-pyrimido(1,2-A);MTBD, 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine
• CAS NO: 84030-20-6
• Molecular Formula: C8H15N3
• Molecular Weight: 153.22
• EINECS: 281-791-1
• Product Categories: Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;N-Containing;Others
• Mol File: 84030-20-6.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 75-79 °C0.1 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.067 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.00125mmHg at 25°C
• Refractive Index: n20/D 1.537(lit.)
• Storage Temp.: 0-10°C
• PKA: 14.37±0.20(Predicted)
• BRN: 7635759
• CAS DataBase Reference: 1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDOL[1,2-A]PYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDOL[1,2-A]PYRIMIDINE(84030-20-6)
• EPA Substance Registry System: 1,3,4,6,7,8-HEXAHYDRO-1-METHYL-2H-PYRIMIDOL[1,2-A]PYRIMIDINE(84030-20-6)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45
• RIDADR: UN 3267 8/PG 2
• WGK Germany: 3
• F: 10
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 84030-20-6(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

Uses

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.

General Description

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene is a soluble amine base. It forms 1:1 complexes with 4-nitrophenyl[bis(diethylsulfonyl)]methane and phenyl[bis(diethylsulfonyl)]methane and their structures have been studied by FT-IR, 1H NMR and PM5 semiempirical methods. Catalytic performance of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene for the transesterification of rapseed oil with methanol has been investigated.

InChI:InChI=1/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3

Upstream product

• 5807-14-7 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine 
• 616-38-6 carbonic acid dimethyl ester 
• 110-18-9 N,N,N,N,-tetramethylethylenediamine 
• 121-44-8 triethylamine 
• 74569-03-2 Bis(3-aminopropyl)amin-trihydrobromid 
• 77-78-1 dimethyl sulfate 
• 13173-07-4 1-(3-aminopropyl)tetrahydro-2(1H)-pyrimidinone 
• 56-18-8 bis(3-aminopropyl)amine 

Downstream Products

• 1215027-82-9 nipecotyl-N-MePhe-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1215027-84-1 nipecotyl-2-naphthylalanyl-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1215027-83-0 nipecotyl-cyclohexylalanyl-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1215027-79-4 4-aminobutyroyl-N-MePhe-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1616762-19-6 4-aminobutyroyl-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1616762-18-5 4-aminobutyroyl-N-MePhe-N-MePhe-CONH₂ 
• 1616762-46-9 4-aminobutyroyl-(p-Cl)N-MePhe-(p-Cl)N-MePhe-N-MePhe-CONH₂ 
• 1616762-44-7 4-aminobutyroyl-(p-Cl)N-MePhe-N-MePhe-CONH₂ 
• 1215027-81-8 4-aminobutyroyl-2-naphthylalanyl-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1616762-33-4 4-aminobutyroyl-2-naphthylalanyl-N-MePhe-N-MePhe-CONH₂ 
• 1215027-80-7 4-aminobutyroyl-cyclohexylalanyl-N-MePhe-N-MePhe-N-MePhe-CONH₂ 
• 1616762-32-3 4-aminobutyroyl-cyclohexylalanyl-N-MePhe-N-MePhe-CONH₂ 
• 1049832-61-2 L-dopa-(NMe-Phe)4-CONH₂ 

Relevant articles and documents

Metal-free catalytic hydrocarboxylation of hexafluorobut-2-yne

An efficient method for stereoselective synthesis of trifluorinated enol esters catalyzed by base was introduced. The DFT calculations and experimental results both supported the nucleophilic addition process. The protocol featured mild reaction conditions and showed a wide functional group tolerance. The one-pot simultaneous etherification and esterification of the salicylic acids further demonstrated the prospective synthetic application.

PROCESS FOR THE PRODUCTION OF CYCLIC GUANIDINE DERIVATES

The present invention relates to a process for the production of cyclic guanidine derivates of formula I or mixtures of them (formula I) by reacting a triamine in the present of a C1-source and a solid material in the gas or liquid phase under inert atmosphere.

METHODS TO PRODUCE ALKYLATED POLYCYCLIC GUANIDINE COMPOUNDS

The present invention encompasses methods of synthesizing N-alkyl derivatives of polycyclic guanidines having an exchangeable NH group by reaction with dialkylcarbonates. In one aspect, the invention provides a method to make methyl TBD (1- Methyl- 1, 4, 9-Triazabicyclof 4.4.0] dec-9-ene) by heating a mixture of TBD and dimethyl carbonate.