2,3-ジメトキシ-5-メチル-1,4-ベンゾキノン

2,3-Dimethoxy-5-methyl-1,4-benzoquinone

HCID 69068CAS 605-94-7
部分構造検索類似構造を探す

基本情報

標準SMILES
COC1=C(OC)C(=O)C(C)=CC1=O
InChIKey
UIXPTCZPFCVOQF-UHFFFAOYSA-N
分子式
C9H10O4
平均分子量
182.17 g/mol
単同位体質量
182.0579088

概要

Ubiquinone-0 is a derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds. It has a role as an Escherichia coli metabolite and a human metabolite.

名称と識別子

優先名称
2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC
2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
現地名
2,3-ジメトキシ-5-メチル-1,4-ベンゾキノン
英語名
2,3-Dimethoxy-5-methyl-p-benzoquinone
分子式
C9H10O4
分子量
182.17

名称と別名

605-94-7Coenzyme Q02,3-Dimethoxy-5-methyl-1,4-benzoquinone2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dioneUbiquinone 0Ubiquinone-0Ubiquinone Q0CoQ0Ubiquinone-OCoenzyme Qo2-Methyl-4,5-dimethoxy-p-quinoneUQ(0) cpd
名称をさらに表示
2,3-ジメトキシ-5-メチル-1,4-ベンゾキノンコエンザイムQo補酵素Qoジメトキシ-5-メチルベンゾキノン, 2,3-2,3-ジメトキシ-5-メチル-P-ベンゾキノン2,3-ジメトキシ-5-メチル-1,4-ベンゾキノン, 98%ユビキノンQ02,3-ジメトキシ-6-メチル-1,4-ベンゾキノン5,6-ジメトキシ-3-メチル-1,4-ベンゾキノン2,3-ジメトキシ-6-メチル-1,4-ベンゼンジオン2,3-ジメトキシ-5-メチルシクロヘキサ-2,5-ジエン-1,4-ジオンコエンザイムQ02,3-ジメトキシ-5-メチル-2,5-シクロヘキサジエン-1,4-ジオン5-メチル-2,3-ジメトキシ-1,4-ベンゾキノンユビキノン0q0COENZYME QUbiquinonl
DTXSID902092422,3-dimethoxy-5-methyl-2,5-cyclohexadiene-1,4-dioneCHEBI:27906RefChem:908653DTXCID10131733210-100-82,3-Dimethoxy-5-methyl-p-benzoquinone2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-

データベース識別子

CAS
605-94-7
PubChem CID
69068
DTXSID
DTXSID90209242
ChEMBL
CHEMBL1812772
ChEBI
CHEBI:27906
EC Number
210-100-8
Nikkaji
J24.264K

物性

構造計算による物性

XLogP
0.8
極性表面積
52.6 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
2
重原子数
13

実験および物理化学的性質

SpringerMaterials PropertiesCrystal structure

物理化学的性質

融点
58 · 58-60 °C(lit.)
沸点
331.4 · 331.4±42.0 °C(Predicted)
比重(密度)
1.19 · 1.19±0.1 g/cm3(Predicted)
貯蔵温度
2 · 2-8°C
水溶解度
almost transparency in hot Water
溶解性
100 mg/ml; · DMF: 100 mg/ml; DMSO: 100 mg/ml; Ethanol: 5 mg/ml; PBS (pH 7.2): 0.2 mg/ml

化学的性質

化学的特性red or orange crystals or fibres

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F
8-10-21
wgk
2
hs_code
29146990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

化学と産業

応用分野

使用2,3-Dimethoxy-5-methyl-p-benzoquinone (Ubidecarenone EP Impurity A)

一般的な説明2,3-Dimethoxy-5-methyl-p-benzoquinone (Coenzyme Q0 or DMM) is present in all the cells including neural cells.

調製方法 · 1 件

純化方法It crystallises in red needles from pet ether (b 40-60o) and sublimes at high vacuum at a bath temperature of 46-48o [Ashley et al. J Chem Soc 441 1938, UV in EtOH: Vischer J Chem Soc 815 1953, UV in cyclohexane: Morton et al. Helv Chim Acta 41 2343 1858, Aghoramurthy et al. Chem Ind (London) 1327 1954]. [Beilstein 8 IV 2721.]

上流・下流製品情報

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

補足説明

定義ChEBI: A derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds.

関連反応

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