84030-20-6

84030-20-6 - Names and Identifiers

Name	7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
Synonyms	MTBD 7-METHYL-1,5,7-TRIAZABICYCLO[4.4.0]DEC-5-ENE 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) 1-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine 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 2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl- MTBD, 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine
CAS	84030-20-6
EINECS	281-791-1
InChIKey	OEBXWWBYZJNKRK-UHFFFAOYSA-N

84030-20-6 - Physico-chemical Properties

Molecular Formula	C8H15N3
Molar Mass	153.22
Density	1.067g/mLat 25°C(lit.)
Boling Point	75-79°C0.1mm Hg(lit.)
Flash Point	>230°F
Appearance	clear liquid
Color	Colorless to Yellow to Orange
BRN	7635759
pKa	14.37±0.20(Predicted)
Storage Condition	Inert atmosphere,2-8°C
Refractive Index	n20/D 1.537(lit.)
Use	This product is for scientific research only and shall not be used for other purposes.

84030-20-6 - Risk and Safety

Hazard Symbols	C - Corrosive
Risk Codes	34 - Causes burns
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
UN IDs	UN 3267 8/PG 2
WGK Germany	3
FLUKA BRAND F CODES	10
HS Code	29335990
Hazard Class	8
Packing Group	III

84030-20-6 - Reference Information

Use

7-methyl -1,5, 7-triazabicyclo [4.4.0] dec-5-ene, also known as six-membered bicyclic guanidine (MTBD), is an effective organic strong base catalyst, at the same time, it is also used as a nucleophilic catalyst, which is widely used in Baylis-Hielman, aldol condensation, Strecker reaction, alcohol Silylation, electrobromination, activation of CO2 and other reactions.

preparation

First step: Synthesis of TBD from guanidine hydrochloride: guanidine hydrochloride (95g,1mol,1eq) was added to the flask, 3, 3-diaminodipropylamine (131G, 1mol,1eq). The reaction was initiated by heating to 120 ° C., and then the temperature was increased to 150

° C. For 8 hours. The temperature was lowered to 70 ° C., and 300ml of methanol was added thereto, followed by stirring and dissolution. Then add 1mol of sodium methoxide in 200ml of methanol solution, concentrate most of the methanol, add 300ml of dichloromethane, filter, the filter cake is recrystallized in 300ml of tetrahydrofuran, filter, the residue is washed with 100ml of THF, about 120g of TBD was obtained by drying, and the yield was 86%. Step 2: Synthesis of MTBD from TBD: TBD(50g,1eq), potassium hydroxide (24g,1.2eq), and tetrahydrofuran (ML) were sequentially added to the bottle. Dimethyl sulfate (45.26g,1eq) was added dropwise at room temperature. The reaction was completed at room temperature overnight. The next day, filtration, concentration of the filtrate and distillation of the residue gave MTBD(46.8g, yield 85%).

Last Update：2024-04-09 20:45:29