[(4R)-2,2-ジメチル-5-オキソ-1,3-ジオキソラン-4-イル]酢酸

2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

HCID 10844960

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 113278-68-5
標準SMILES: CC1(C)OC(=O)[C@@H](CC(=O)O)O1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
分子式: C7H10O5
平均分子量: 174.15 g/mol
単同位体質量: 174.05282342

名称と識別子

優先名称: 2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC: 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
現地名: [(4R)-2,2-ジメチル-5-オキソ-1,3-ジオキソラン-4-イル]酢酸
英語名: (R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid
分子式: C7H10O5
分子量: 174.15

名称と別名

2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acidRefChem:449326627-843-2113278-68-5[(4R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid(R)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acidMFCD00211272(r)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic acidAKOS015893968AT10699

名称をさらに表示

[(4R)-2,2-ジメチル-5-オキソ-1,3-ジオキソラン-4-イル]酢酸(R)-2,2-DiMethyl-5-oxo-(R)-(-)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic[(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxalone-4-acetic acid1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4R)-

BS-51226EN300-7466912-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid; 2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic Acid; [(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid;SCHEMBL473047DTXSID70445646SBB053468SY293608

データベース識別子

CAS: 113278-68-5
PubChem CID: 10844960
DTXSID: DTXSID70445646
EC Number: 627-843-2

物性

構造計算による物性

XLogP: 0
極性表面積: 72.8 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 220

物理化学的性質

融点: 95 · 95-98°C
沸点: 341.4 · 341.4±17.0 °C(Predicted)
比重(密度): 1.262 · 1.262±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: ジクロロメタン、酢酸エチル、メタノール
外見: 個体
酸解離定数(Pka): 3.96 · 3.96±0.10(Predicted)
色: オフホワイト
InChI: 1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
SMILES: CC1(C)O[C@H](CC(O)=O)C(=O)O1

化学的性質

化学的特性Off-White Solid

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 41 reports by companies from 3 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
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

一般的な説明(R)-()-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid can be used as an intermediate/starting material in the synthesis of (R)-isoserine, a glucagon receptor antagonist, blepharismone, and pheromone of Blepharisma japonicum.