7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene (HCID 123583)

名称と識別子

優先名称: 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
IUPAC: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
現地名: 1,3,4,6,7,8-ヘキサヒドロ-1-メチル-2H-ピリミド[1,2-a]ピリミジン
英語名: 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimidol[1,2-a]pyrimidine
分子式: C8H15N3
分子量: 153.22

名称と別名

7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-EINECS 281-791-1DTXSID702329327-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene2H-Pyrimido(1,2-a)pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-RefChem:106326DTXCID00155423281-791-1OEBXWWBYZJNKRK-UHFFFAOYSA-N

名称をさらに表示

1-メチル-1,2,3,6,7,8-ヘキサヒドロ-4H-ピリミド[1,2-a]ピリミジン1-メチル-1,2,3,4,7,8-ヘキサヒドロ-6H-ピリミド[1,2-a]ピリミジン7-メチル-1,5,7-トリアザビシクロ[4.4.0]デカン-5-エン1,3,4,6,7,8-ヘキサヒドロ-1-メチル-2H-ピリミド[1,2-a]ピリミジン1-メチル-1,3,4,6,7,8-ヘキサヒドロ-2H-ピリミド[1,2-a]ピリミジン7-メチル-1,5,7-トリアザビシクロ[4.4.0]デカ-5-エン1-メチル-1,3:2,3-ジプロパノグアニジン3,4,6,7,8,9-ヘキサヒドロ-9-メチル-2H-ピリミド[1,2-a]ピリミジン1-メチル-1,2,3,4,4a,5,6,7-オクタヒドロ-1,4a,8-トリアザナフタレン1-メチル-1,2,3,4,6,7-ヘキサヒドロ-5H-1,4a,8-トリアザナフタレン9-メチル-3,4,6,7,8,9-ヘキサヒドロ-2H-ピリミド[1,2-a]ピリミジン1,2,3,4,6,7-ヘキサヒドロ-1-メチル-8H-ピリミド[1,2-a]ピリミジン1-メチル-2,3,4,6,7,8-ヘキサヒドロ-1H-ピリミド[1,2-a]ピリミジン1-メチル-1,3,4,6,7,8-テトラヒドロ-2H-ピリミド[1,2-a]ピリミジン-9-イウム9-メチル-2H,3H,4H,6H,7H,8H-ピリミド[1,2-a][1,3]ジアジン-1-イウム1-メチル-1H,2H,3H,4H,6H,7H,8H-ピリミド[1,2-a][1,3]ジアジン-9-イウム1-メチル-1,2,3,4,6,7-ヘキサヒドロ-8H-ピリミド[1,2-a]ピリミジン5-メチル-1,5,7-トリアザビシクロ[4.4.0]デカン-6-エン1-メチル-1H,2H,3H,4H,6H,7H,8H-[1,3]ジアジノ[1,2-a]ピリミジンCATALYST MTBD7-Methyl-1,5,7-triazabicyclo[4.4.]dec-5-ene7-methyl-1,5,7-triazadicyclo[4.4.0]decyl-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]decane-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene>

84030-20-6MTBD1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineMFCD000430041-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineS8JQ539BWX1-methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine

データベース識別子

CAS: 84030-20-6
PubChem CID: 123583
DTXSID: DTXSID70232932
UNII: S8JQ539BWX
EC Number: 281-791-1
Nikkaji: J267.465C

物性

構造計算による物性

XLogP: -0.1
極性表面積: 18.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 176

物理化学的性質

沸点: 75 · 75-79 °C0.1 mm Hg(lit.)
比重(密度): 1.067 g/mL · 1.067 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.537(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Inert atmosphere,2-8°C
酸解離定数(Pka): 14.37 · 14.37±0.20(Predicted)
外見: clear liquid
色: Colorless to Yellow to Orange
BRN: 7635759 · 7635759
InChI: InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
SMILES: C12=NCCCN1CCCN2C

化学的性質

化学的特性Colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

安全データ

F: 10
wgk: 3
ridadr: UN 3267 8/PG 2
hs_code: 29335990
risk_code: 34
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用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.

一般的な説明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.