chloromethyl 2,2-dimethylpropanoate

• ChemBase编号: 103108
• 分子式: C6H11ClO2
• 平均质量: 150.60334
• 单一同位素质量: 150.04475727
• SMILES: CC(C)(C)C(=O)OCCl
• Canonical SMILES: ClCOC(=O)C(C)(C)C
• InChI: InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
• InChIKey: GGRHYQCXXYLUTL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chloromethyl 2,2-dimethylpropanoate
• IUPAC传统名: chloromethyl 2,2-dimethylpropanoate
• 别名: 新戊酸氯甲酯; 特戊酸氯甲酯; 新戊酸氯甲酯; POM-Cl; Pivaloyloxymethyl chloride; Chloromethyl pivalate; Chloromethyl trimethylacetate; Pivaloylmethyl Chloride; CHLOROMETHYL PIVALATE

登记号

• CAS号: 18997-19-8
• EC号: 242-735-1
• MDL号: MFCD00000884
• Beilstein号: 1560838
• PubChem SID: 24848492; 162090586
• PubChem CID: 87885

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.3358417
• LogD (pH = 7.4): 2.3358417
• Log P: 2.3358417
• 摩尔折射率: 35.7546 cm^3
• 极化性: 14.439058 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 0°C
• 沸点: 146-148 °C(lit.); 146-148°C; 70-72.0°C @ 50 mm Hg
• 闪点: 104 °F; 40 °C; 40°C; 40°C(104°F)
• 密度: 1.045; 1.045 g/ml; 1.045 g/mL at 25 °C(lit.)
• 折射率: 1.4170; n20/D 1.417(lit.); n20/D 1.418

安全信息

• 保存条件: 2-8°C
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993; 3272; UN2924
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 3Y
• 危险公开号: 10-20/21/22-36/37/38; 10-34; R:10-36/37/38
• 安全公开号: 16-26-36; 26-36/37/39-45; S:16-20-25-26-37/39
• 欧盟危险货物分类: F1
• 欧盟危险识别号(EUHIN): 3B
• 美国ERG指导号: 128
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Warning
• GHS危险声明: H226-H302-H312-H315-H319-H332-H335; H314-H318-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3272 3/PG 3

产品相关信息

• 纯度: ~97%; ≥97.0% (AT); 97%
• 级别: purum
• 线性分子式: (CH3)3CCOOCH2Cl

详细说明

MP Biomedicals - 02150625

Purity: ~97%
1 ml=approx. 1.04 g
N-Protecting reagent for synthesis of purine derivatives.

Sigma Aldrich - 141186

包装
25, 100 g in glass bottle

Sigma Aldrich - 80915

Other Notes
胺的基团保护试剂，例如用于腺嘌呤和黄嘌呤的衍生物1,2

参考文献

• Reagent for the N-protection of amines, e.g. adenine in the presence of K₂CO₃ in DMF, as pivaloyloxymethyl (Pom) derivatives, which have been found useful in the synthesis of sensitive nucleosides. The Pom group is cleaved in mild base, e.g. methanolic ammonia: J. Am. Chem. Soc., 89, 5439 (1967).