(4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

• ChemBase编号: 147614
• 分子式: C6H10O3
• 平均质量: 130.1418
• 单一同位素质量: 130.06299418
• SMILES: CC1(OC[C@@H](O1)C=O)C
• Canonical SMILES: O=C[C@H]1COC(O1)(C)C
• InChI: InChI=1S/C6H10O3/c1-6(2)8-4-5(3-7)9-6/h3,5H,4H2,1-2H3/t5-/m0/s1
• InChIKey: YSGPYVWACGYQDJ-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
• IUPAC传统名: (4R)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
• 别名: (R)-(+)-2,2-二甲基-1,3-二氧戊环-4-甲醛; (R)-(+)-Glyceraldehyde acetonide; (R)-Isopropylideneglyceraldehyde; NSC 89869; (R)-(+)-2,2-Dimethyl-1,3-dioxolane-4-carboxaldehyde

登记号

• CAS号: 15186-48-8
• MDL号: MFCD00269682
• PubChem SID: 162241801; 24868922
• PubChem CID: 259712

理论计算性质

• Acid pKa: 13.989225
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.025068877
• LogD (pH = 7.4): 0.025068767
• Log P: 0.02506888
• 摩尔折射率: 31.6651 cm^3
• 极化性: 12.574146 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 139 °C(lit.)
• 闪点: 143.6 °F; 62 °C
• 密度: 1.045 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.454(lit.)
• 比旋光度: [α]22/D +53.8°, c = 2 in chloroform

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C6H10O3

详细说明

Sigma Aldrich - 454486

包装
500 mg in glass bottle
Application
Reactant involved in organic reactions including:
• Henry condensation reactions1
• Synthesis of highly functionalized chiral aziridines2
• Olefination of aldehydes3
• C-H oxidations4
• Aldol-type condensations5
• Synthesis of hydrophilic pyrazine dyes for use as exogenous fluorescent tracer agents6
• Hosomi-Sakurai reactions7