N,N-ジメチルホルムアミドジメチルアセタール

Dimethylformamide dimethyl acetal

HCID 78373
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基本情報

CAS
4637-24-5
標準SMILES
COC(OC)N(C)C
InChIKey
ZSXGLVDWWRXATF-UHFFFAOYSA-N
分子式
C5H13NO2
平均分子量
119.16 g/mol
単同位体質量
119.09462866

概要

N,N-dimethylformamide dimethyl acetal is an acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applications. It has a role as a chromatographic reagent. It is a tertiary amino compound and an acetal. It is functionally related to a N,N-dimethylformamide.

名称と識別子

優先名称
Dimethylformamide dimethyl acetal
IUPAC
1,1-dimethoxy-N,N-dimethylmethanamine
現地名
N,N-ジメチルホルムアミドジメチルアセタール
英語名
N,N-Dimethylformamide dimethyl acetal
分子式
C5H13NO2
分子量
119.16

名称と別名

N,N-Dimethylformamide dimethyl acetal4637-24-51,1-dimethoxy-N,N-dimethylmethanamineMethanamine, 1,1-dimethoxy-N,N-dimethyl-DMF Dimethyl acetalDimethylformamide-dimethylacetalDMF-DMADMFDMADimethylformamide dimethyl acetalDimethoxy(dimethylamino)methaneDF7CTT5QPHDTXSID3063540
名称をさらに表示
N,N-ジメチルホルムアミド ジメチル アセタールN,N-ジメチルホルムアミドジメチルアセタールN,N-ジメチルホルムアミドジメチルアセタール (0.5ml×10)N,N-ジメチルジメトキシメタンアミンジメチルアミノジメトキシメタンα,α-ジメトキシ-N,N-ジメチルメタンアミンジメチル(ジメトキシメチル)アミンジメチルアミノメタナールジメチルアセタールジメトキシメチルジメチルアミン(ジメトキシメチル)ジメチルアミンN,N-ジメチルジ(メトキシ)メタンアミンジメチルアミノホルムアルデヒドジメチルアセタールジメトキシ-N,N-ジメチルメタンアミン(ジメチルアミノ)ホルムアルデヒドジメチルアセタールN,N-ジメチル[[ビス(メトキシ)メチル]アミン]N-(ジメトキシメチル)ジメチルアミンN,N-ジメチル-α,α-ジメトキシメタンアミンジメチルホルムアミドジメチルアセタルジメチルホルムアミドジメチルアセタ-ル1,1-ジメトキシトリメチルアミンDimethoxy-N,N-dimethylmethanamine1,1-dimethoxy-n,n-dimethyl-methanamin(Dimethylamino)dimethoxymethaneDMF-DIMETHYLACETAL1,1-DIMETHOXY-N,N-DIMETHYLMETHYLAMINEN,N-Dimethylformamide dimethylDIMETHYLFORMAMIDEDIMETHYLACETAL
CHEBI:85061RefChem:134349DTXCID8040488225-063-31,1-Dimethoxytrimethylamine(dimethoxymethyl)dimethylaminedimethylformamide dimethylacetalTrimethylamine, 1,1-dimethoxy-

データベース識別子

CAS
4637-24-5
PubChem CID
78373
DTXSID
DTXSID3063540
ChEBI
CHEBI:85061
UNII
DF7CTT5QPH
EC Number
225-063-3
Nikkaji
J24.180F

物性

構造計算による物性

XLogP
0.2
極性表面積
21.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Vapor Pressure30.0 [mmHg]
Physical DescriptionColorless liquid with a rancid odor; [BASF MSDS]

物理化学的性質

融点
-85 °C · -85°C
沸点
102 · 102-103 °C/720 mmHg (lit.)
比重(密度)
0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
蒸気圧
34.5 hPa · 34.5hPa at 20℃
屈折率
20 · n20/D 1.396(lit.)
闪点
45 °F · 45 °F

化学的性質

化学的特性clear colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 230 reports by companies from 18 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: Methanamine, 1,1-dimethoxy-N,N-dimethyl-

Status: Active Update: 13-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11035

Dimethylformamide-dimethylacetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; May cause skin sensitization; Harmful by inhalation; [BASF MSDS] See Dimethylformamide. See 1,1-Dimethoxyethane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

毒性情報

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 12,160 mg/m3/4hr

安全データ

F
21
wgk
1
tsca
TSCA listed
ridadr
UN 3271 3/PG 2
毒性
LD50 orally in Rabbit: > 5000 mg/kg
hs_code
29225000

化学と産業

用途と製造

UsesUsed as an intermediate; [BASF MSDS]
General Manufacturing InformationMethanamine, 1,1-dimethoxy-N,N-dimethyl-: ACTIVE
応用分野 · 5 件

用途メチルエステル化剤、有機合成用。

用途有機合成の反応剤。

用途ガスクロマトグラフ分析における試料の前処理(エステル化)剤。

使用N,N-Dimethylformamide dimethyl acetal is used as an intermediate in the formation of pyridine derivatives, which exhibits inhibition against PI3 kinase p110alfa enzymes. It is utilized for the derivatization of primary sulfonamides and trifluoroacetic acid. It is also used in the preparation of formamidine derivatives. It is used as a reagent for n-dimethylaminomethylene and methyl esters. Further, it is used to catalyze the coupling of epoxides with carbon dioxide to prepare cyclic carbonates.

一般的な説明Esterate M (N,N-Dimethylformamide dimethyl acetal, DMFDMA) is an methylating reagent. It has been used in methyl esterification of carboxylic acid and also in one-step derivatization of amino acids into N,N-Dimethylaminomethylene methyl esters.

上流・下流製品情報

下流製品

(5-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-yl)methanamine(1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol2-(ジメチルアミノ)ビニル3-ピリジルケトン5-メチル-1-フェニルピラゾール-4-カルボン酸(5-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanol1-フェニル-5-(トリフルオロメチル)-1H-ピラゾール-4-カルボン酸1-tert-Butyl 6-methyl 3-formyl-1H-indole-1,6-dicarboxylate1-(4-フルオロフェニル)-5-メチル-1H-ピラゾール-4-カルボン酸エチル3-ブロモクロモン5-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbonitrile5-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride4-アミノ-1H-インドール-6-カルボン酸メチル

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補足説明

定義ChEBI: An acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applica ions

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