(N-メトキシ-N-メチルカルバモイルメチル)ホスホン酸ジエチル

Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonate

HCID 2773719

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 124931-12-0
標準SMILES: CCOP(=O)(CC(=O)N(C)OC)OCC
InChIKey: WYLRYBDGIILFIR-UHFFFAOYSA-N
分子式: C8H18NO5P
平均分子量: 239.21 g/mol
単同位体質量: 239.09225931

名称と識別子

優先名称: Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonate
IUPAC: 2-diethoxyphosphoryl-N-methoxy-N-methylacetamide
現地名: (N-メトキシ-N-メチルカルバモイルメチル)ホスホン酸ジエチル
英語名: DIETHYL (N-METHOXY-N-METHYLCARBAMOYLMETHYL)PHOSPHONATE
分子式: C8H18NO5P
分子量: 239.21

名称と別名

Diethyl (N-methoxy-N-methylcarbamoylmethyl)phosphonateRefChem:587034626-937-0124931-12-0Diethyl (2-(methoxy(methyl)amino)-2-oxoethyl)phosphonate2-diethoxyphosphoryl-N-methoxy-N-methylacetamideMFCD00134233diethyl {[methoxy(methyl)carbamoyl]methyl}phosphonateDiethyl(N-methoxy-N-methylcarbamoylmethyl)phosphonateDTXSID703786672-diethoxyphosphoryl-N-methoxy-N-methyl-acetamideSBB057815

名称をさらに表示

(N-メトキシ-N-メチルカルバモイルメチル)ホスホン酸ジエチルジエチル(N-メトキシ-N-メチルカルバモイルメチル)ホスホナートDiethyl (2-(methoxy(methyl)N-Methoxy-N-methyl-diethylphosphoacetamideDIETHYL N-METHOXY-N-METHYLPHOSPHONOACETAMIDEN-Methoxy-N-methyl-2-(diethyl phosphono)acetamideDiethylphosphonoacetic acid N-methyl-N-methoxyamidediethyl (N-ethoxy-N-methylcarbamoylmethyl)phosphonate

N-methoxy-N-methyl diethylphosphonoacetamideD3708N-methoxy-N-methyl diethylphosphonoacetarnide2-(diethoxycarbonyl)-N-methoxy-N-methylacetamidediethyl {2-[methoxy(methyl)amino]-2-oxoethyl}phosphonateDiethyl [2-[Methoxy(methyl)amino]-2-oxoethyl]phosphonatediethyl (n-methoxy-n-methylcarbamoyl-methyl)phosphonateN-Methoxy-N-methyl-phosphonoacetamide diethyl ester

データベース識別子

CAS: 124931-12-0
PubChem CID: 2773719
DTXSID: DTXSID70378667
EC Number: 626-937-0
Nikkaji: J860.320K

物性

構造計算による物性

XLogP: -0.2
極性表面積: 65.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 15
形式電荷: 0
複雑度: 235

物理化学的性質

沸点: 90 °C17 · 90 °C17 mm Hg(lit.)
比重(密度): 1.163 g/mL · 1.163 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.455(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Store at room temperature
外見: clear liquid
色: Colorless to Almost colorless
BRN: 1875865 · 1875865
InChI: 1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-8(10)9(3)12-4/h5-7H2,1-4H3
InChIKey: WYLRYBDGIILFIR-UHFFFAOYSA-N
SMILES: CCOP(=O)(CC(=O)N(C)OC)OCC
CAS データベース: 124931 · 124931-12-0

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 29319000
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 1 件

使用Reactant for:Preparation of ring-expanded bryostatin analogs as antitumor agentsAsymmertic synthesis of pinnatoxins A and G via diastereoselective Ireland-Claisen rearrangement, ring closing metathesis, and cyclizationRh2(II)-catalyzed nitro-group migration reactionsStereoselective synthesis of cyclohexanones via phase transfer catalyzed double addition reactionsStereoselective synthesis of (+)-polyrhacitide A via aldol reaction, Horner-Wardsworth-Emmons reaction, Evans acetal intramolecular oxa-Michael reaction and diastereoselective syn reduction reaction as the key stepsPreparation of substituted furans via olefin cross-metathesis