Dimethyl methoxymethylenemalonate (HCID 90770)

名称と識別子

優先名称: Dimethyl methoxymethylenemalonate
IUPAC: dimethyl 2-(methoxymethylidene)propanedioate
現地名: メトキシメチレンマロン酸ジメチル
英語名: Dimethyl methoxymethylenemalonate
分子式: C7H10O5
分子量: 174.15

名称と別名

Dimethyl methoxymethylenemalonateEINECS 244-957-4NSC 131266DTXSID90176925RefChem:588284DTXCID3099416244-957-422398-14-7Dimethyl 2-(methoxymethylene)malonate1,3-dimethyl 2-(methoxymethylidene)propanedioatedimethyl 2-(methoxymethylidene)propanedioateMFCD00038225

名称をさらに表示

メトキシメチレンマロン酸ジメチル(メトキシメチレン)プロパン二酸ジメチル2-(メトキシメチレン)マロン酸ジメチル(メトキシメチレン)マロン酸ジメチル2‐（メトキシメチレン）マロン酸ジメチル1,3-ジメチル 2-(メトキシメチリデン)プロパンジオアートMMMMDimethyl 2-(methoxymethylene)DimethylmethoxymethylenmalonatDimethylMethoxymethylenemalonate>Dimethyl methoxymethylenemalonate, 98+%thyl 2-(methoxymethylidene)propanedioateimethyl2-(methoxymethylidene)propanedioate

dimethyl (methoxymethylidene)propanedioateSCHEMBL166090dimethyl methoxymethylenepropanedioatedimethyl methoxymethylene-propanedioateEN300-67321Methoxymethylenemalonic Acid Dimethyl EsterAMY14316Propanedioic acid, (methoxymethylene)-, dimethyl ester

データベース識別子

CAS: 22398-14-7
PubChem CID: 90770
DTXSID: DTXSID90176925
EC Number: 244-957-4
Nikkaji: J41.171J

物性

構造計算による物性

XLogP: 0.4
極性表面積: 61.8 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: 5
重原子数: 12
形式電荷: 0
複雑度: 188

物理化学的性質

融点: 40 · 40-44 °C
沸点: 98 °C · 98 °C (0.5 mmHg)
比重(密度): 1.2311 · 1.2311 (rough estimate)
屈折率: 1.439 · 1.4390 (estimate)
闪点: 158 °C · 158 °C
貯蔵温度: Sealed in dry,Room Temperature
外見: 結晶性固体
色: 白い
InChI: InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
InChIKey: RHFZTBSULNJWEI-UHFFFAOYSA-N
SMILES: C(OC)(=O)/C(=C\OC)/C(OC)=O
CAS データベース: 22398 · 22398-14-7(CAS DataBase Reference)

化学的性質

化学的特性white crystalline solid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (66.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (66.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)

安全データ

hs_code: 29171990
risk_code: 43-36/38-22
化審法: (9)-676
hazard_code: Xn
safety_code: 37/39-26-24

化学と産業

応用分野 · 1 件

使用Dimethyl 2-(Methoxymethylene)malonate is a useful synthetic intermediate. It is used in preparation of (phenoxyethoxy)quinolones with antimalarial activities. It is also a reagent used in the synthesis of bicyclic pyridones prepn. as oral selective CB2 agonists with anti-pruritic activity.