4-メトキシ-1,5-ジヒドロ-2H-ピロール-2-オン

4-methoxy-2,5-dihydro-1H-pyrrol-2-one

HCID 574769

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 69778-83-2
標準SMILES: COC1=CC(=O)NC1
InChIKey: TXKQBYYDTLOLHA-UHFFFAOYSA-N
分子式: C5H7NO2
平均分子量: 113.11 g/mol
単同位体質量: 113.04767847

名称と識別子

優先名称: 4-methoxy-2,5-dihydro-1H-pyrrol-2-one
IUPAC: 3-methoxy-1,2-dihydropyrrol-5-one
現地名: 4-メトキシ-1,5-ジヒドロ-2H-ピロール-2-オン
英語名: 4-METHOXY-3-PYRROLIN-2-ONE
分子式: C5H7NO2
分子量: 113.11

名称と別名

4-METHOXY-2,5-DIHYDRO-1H-PYRROL-2-ONERefChem:524514624-640-069778-83-24-Methoxy-3-pyrrolin-2-one4-Methoxy-1H-pyrrol-2(5H)-one4-Methoxy-1,5-dihydro-2H-pyrrol-2-one3-methoxy-1,2-dihydropyrrol-5-oneMFCD000715642H-Pyrrol-2-one, 1,5-dihydro-4-methoxy-1,5-Dihydro-4-methoxy-2H-pyrrol-2-one1-Cyclohexylpiperazine; 4-Cyclohexylpiperazine; N-Cyclohexylpiperazine

名称をさらに表示

4-メトキシ-1,5-ジヒドロ-2H-ピロール-2-オン4-メトキシ-3-ピロリン-2-オン4-メトキシ-3-ピロリン-2-オン, 99%4-Methoxy-3-pyrolin-2-one4-Methoxy-3-pyrrolin-2-one,99%4-METHOXY-3-PYRROLIN-2-ONE 99%4-METHOXY-1,5-DIHYDROPYRROL-2-ONE1,5-DIHYDRO-4-METHOXY-2H-PYRROL-2-ON1H-2-Pyrrolone, 4-methoxy-2,5-dihydro

SCHEMBL145648SCHEMBL993549CHEMBL2147272DTXSID10341673GEO-01727AKOS000813752AB02829CS-W005299

データベース識別子

CAS: 69778-83-2
PubChem CID: 574769
DTXSID: DTXSID10341673
ChEMBL: CHEMBL2147272
EC Number: 624-640-0
Nikkaji: J461.221C

物性

構造計算による物性

XLogP: -0.7
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 8
形式電荷: 0
複雑度: 139

物理化学的性質

融点: 129 · 129-132 °C(lit.)
沸点: 349.6 · 349.6±42.0 °C(Predicted)
比重(密度): 1.16 · 1.16±0.1 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 13.13 · 13.13±0.40(Predicted)
BRN: 1524505 · 1524505
CAS データベース: 69778 · 69778-83-2(CAS DataBase Reference)

化学的性質

化学的特性white to yellow-beige crystals or

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

化学と産業

応用分野

使用4-Methoxy-3-pyrrolin-2-one is a useful reagent for double-strand DNA cleavage by copper prodigiosin.

上流・下流製品情報

上流原料

Methanediol, methoxy- (9CI)2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester, (2Z)-3H-Pyrrol-3-one, 1,2-dihydro-5-methoxy-2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester, (2Z)-2-Butenoic acid, 4-bromo-3-methoxy-, methyl ester, (2E)-ETHYL 4-BROMO-3-METHOXYBUT-2-ENOATE 2-Butenoic acid, 4-bromo-3-methoxy-, ethyl ester, (2E)-2,4-ピロリジンジオン (E)-3-メトキシ-2-ブテン酸メチルエステル (E)-4-クロロ-3-メトキシ-2-ブテン酸メチル

下流製品

EthanaMine, N-[(5-broMo-3-Methoxy-2H-pyrrol-2-ylidene)Methyl]-N-ethyl-

サプライヤー51 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

化合物ノート

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