2,2,6,6-Tetramethylpiperidine (HCID 13035)

名称と識別子

優先名称: 2,2,6,6-Tetramethylpiperidine
IUPAC: 2,2,6,6-tetramethylpiperidine
現地名: 2,2,6,6-テトラメチルピペリジン
英語名: 2,2,6,6-Tetramethylpiperidine
分子式: C9H19N
分子量: 141.25

名称と別名

2,2,6,6-Tetramethylpiperidine768-66-1NorpempidinePIPERIDINE, 2,2,6,6-TETRAMETHYL-2,2,6,6-TETRAMETHYL PIPERIDINEMFCD00005985HTMP2,2,6,6-tetramethyl-piperidine44N9S1YCFMNSC-1028382,2,6,6-TetramethylpeperidineEINECS 212-199-3

名称をさらに表示

2,2,6,6-テトラメチルピペリジン2,2,6,6‐テトラメチルピペリジンTETRAMETHYLPIPERIDINE2,2,6,6-TetramethyL2,2,6,6-Teteamethyl-piperidine6-TetraMethylpiperidine2,2,6,6-Tetramethylpiperidine(Tmp)2,2,62,2,6,6-TetramethylpMedetomidine Impurity 100

UNII-44N9S1YCFMNSC 1028382,2,6,6 Tetramethyl piperidineNSC102838SCHEMBL151002,6,6-TetramethylpiperidineSCHEMBL146951SCHEMBL210605

データベース識別子

CAS: 768-66-1
PubChem CID: 13035
DTXSID: DTXSID0061113
ChEMBL: CHEMBL2448812
UNII: 44N9S1YCFM
EC Number: 212-199-3
Nikkaji: J1.732I

物性

構造計算による物性

XLogP: 2.1
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 111

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Cyclic

SpringerMaterials PropertiesChemical shift

Vapor Pressure0.98 [mmHg]

Physical DescriptionLight yellow liquid; [Sigma-Aldrich MSDS]

Dissociation Constants11.1

物理化学的性質

融点: -59 °C · -59°C
沸点: 152 °C · 152 °C (lit.)
比重(密度): 0.837 g/mL · 0.837 g/mL at 25 °C (lit.)
蒸気圧: 14 hPa · 14 hPa (39 °C)
屈折率: 20 · n20/D 1.445(lit.)
闪点: 76 °F · 76 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 混和性
酸解離定数(Pka): 11.07 · 11.07(at 25℃)
外見: 液体
比重: 0.837 · 0.837
色: 無色透明～黄色
水溶解度: 混和性
BRN: 103296 · 103296
InChI: 1S/C9H19N/c1-8(2)6-5-7-9(3,4)10-8/h10H,5-7H2,1-4H3
InChIKey: RKMGAJGJIURJSJ-UHFFFAOYSA-N
SMILES: CC1(C)CCCC(C)(C)N1
CAS データベース: 768 · 768-66-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · Piperidine, 2,2,6,6-tetramethyl-(768-66-1)
EPAの化学物質情報: 2 · Piperidine, 2,2,6,6-tetramethyl- (768-66-1)

化学的性質

化学的特性clear colorless to light yellow-green liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 102 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Piperidine, 2,2,6,6-tetramethyl-

Status: Active Update: 11-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19475

2,2,6,6-Tetramethylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Rats demonstrated effects possibly indicative of neurotoxicity in all test groups of acute inhalation study and high dose group (500 mg/kg) of acute oral study; [EPA - TSCATS] A skin and strong eye irritant; Toxic by ingestion; [Sigma-Aldrich MSDS] See Piperidine.

Hazard Classes and CategoriesFlam. Liq. 3 (97.1%)

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 4,550 mg/m3/4hr

安全データ

wgk: 2
tsca: TSCA listed
rtecs: TN4220000
ridadr: UN 1992 3/PG 3
毒性: LD50 orally in Rabbit: 500 mg/kg
hs_code: 29333999
risk_code: 10-22-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,F,C
safety_code: 26-37/39-16
hazard_class: 3
packing_group: III
自然発火温度: 290 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1ASTOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationPiperidine, 2,2,6,6-tetramethyl-: ACTIVE

応用分野 · 3 件

用途2,2,6,6-テトラメチルピペリジン（2,2,6,6-tetramethylpiperidine、TMP、HTMP）は、アミン臭をもつ無色の液体である。一般的に用いられる水酸化カリウムと違い有機溶媒に溶けるため、立体障害塩基（ヒンダードアミン）として用いられる。

用途有機合成原料。

使用2,2,6,6-Tetramethylpiperidine is used in the syntheses of HMP-Y1, Hibarimicinone and HMP-P1, tyrosine kinase inhibitors.

調製方法

製造方法Many routes for the synthesis of TMP have been reported. One method starts with a conjugate addition reaction of ammonia to phorone. The intermediate triacetone amine is then reduced in a Wolff-Kishner reaction.

上流・下流製品情報

下流製品

2-Methoxy-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 5-フルオロ-2-ピリジンカルボン酸 2,4-ジメトキシピリミジン-5-カルボアルデヒド 3-Bromo-2-((cyclopropylamino)methyl)benzaldehyde (E)-5-(2-Carboxyvinyl)-2,4-dimethoxypyrimidine 3-Cyanopyridin-4-ylboronic acid 5-(Trifluoromethyl)-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 2-Cyanopyridin-3-ylboronic acid 3-Methoxy-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile 2-(3-メトキシフェニル)シクロヘキサノン 4-(Trifluoromethyl)-2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

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2,2,6,6-テトラメチルピペリジン

基本情報