(2R)-pyrrolidin-2-ylmethanol

• ChemBase编号: 18893
• 分子式: C5H11NO
• 平均质量: 101.14694
• 单一同位素质量: 101.08406398
• SMILES: N1[C@@H](CO)CCC1
• Canonical SMILES: OC[C@H]1CCCN1
• InChI: InChI=1S/C5H11NO/c7-4-5-2-1-3-6-5/h5-7H,1-4H2/t5-/m1/s1
• InChIKey: HVVNJUAVDAZWCB-RXMQYKEDSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-pyrrolidin-2-ylmethanol
• IUPAC传统名: (2R)-pyrrolidin-2-ylmethanol
• 别名: (R)-(-)-2-(羟甲基)吡咯烷; D-脯氨醇; (R)-(-)-2-吡咯烷甲醇; (R)-(-)-脯氨醇; (R)-(-)-2-吡咯烷甲醇; D-脯氨醇; (R)-(-)-2-(Hydroxymethyl)pyrrolidine; D-Prolinol; (R)-(-)-2-Pyrrolidinemethanol; D-(-)-Prolinol; (2R)-(Pyrrolidin-2-yl)methanol; (2R)-(-)-2-(Hydroxymethyl)pyrrolidine 95%; (2R)-pyrrolidin-2-ylmethanol; D-Prolinol; H-D-Pro-ol; (R)-(-)-Prolinol; (R)-1-Pyrrolidin-2-yl-methanol; (R)-(-)-2-Pyrrolidinemethanol; D-Prolinol

登记号

• CAS号: 68832-13-3
• MDL号: MFCD00064321
• Beilstein号: 1523669
• PubChem SID: 24856990; 24887894; 160982200
• PubChem CID: 2724541

理论计算性质

• Acid pKa: 15.121073
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -3.6555982
• LogD (pH = 7.4): -3.4277017
• Log P: -0.41741595
• 摩尔折射率: 28.1969 cm^3
• 极化性: 11.356206 Å^3
• 极化表面积: 32.26 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

• 熔点: 160 - 163°C
• 沸点: 74-76 °C/2 mmHg(lit.); 74-76°C/2mm; 74-76°C/2mm
• 闪点: 186.8 °F; 86 °C; 86°C; 86°C(186°F)
• 密度: 1.025; 1.025 g/mL at 25 °C(lit.); 1.036 g/mL at 20 °C(lit.)
• 折射率: 1.4849; n20/D 1.4849(lit.); n20/D 1.485
• 比旋光度: [α]20/D -31±2°, c = 1% in toluene; [α]20/D -31°, c = 1 in toluene; -31 (c=1 in toluene)
• 疏水性(logP): -0.308

安全信息

• 保存注意事项: Air Sensitive & Hygroscopic; IRRITANT; Irritant/Air Sensitive/Hygroscopic/Store under Argon
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H227; H315-H319-H335
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (sum of enantiomers, GC); 95%; 98%; 98+%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C5H11NO

详细说明

Sigma Aldrich - 281697

Application
用于不对称合成的多功能试剂。1,2
包装
1, 5 g in glass bottle
250 mg in glass bottle