(2R)-2-amino-4-methylpentan-1-ol

• ChemBase编号: 69443
• 分子式: C6H15NO
• 平均质量: 117.1894
• 单一同位素质量: 117.11536411
• SMILES: C([C@H](N)CC(C)C)O
• Canonical SMILES: OC[C@@H](CC(C)C)N
• InChI: InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m1/s1
• InChIKey: VPSSPAXIFBTOHY-ZCFIWIBFSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-amino-4-methylpentan-1-ol
• IUPAC传统名: (2R)-2-amino-4-methylpentan-1-ol
• 别名: D-亮氨醇; (R)-2-氨基-4-甲基-1-戊醇; D-亮氨醇; (R)-(-)-亮氨醇; (R)-2-Amino-4-methylpentanol; H-D-Leu-ol; (2R)-2-Amino-4-methyl-1-pentanol; (2R)-4-Methylpentane-1-hydroxy-2-amine; (R)-(-)-2-Amino-4-methyl-1-pentanol; (R)-(-)-Leucinol; D-Leucinol; (R)-2-Amino-4-methyl-1-pentanol; D-Leucinol; (R)-(-)-Leucinol; D-(-)-LEUCINOL; L-Leucinol; (2S)-(+)-Leucinol; (2S)-2-Amino-4-methylpentan-1-ol; D-Leucinol

登记号

• CAS号: 53448-09-2; 7533-40-6
• MDL号: MFCD00004734; MFCD00063676
• Beilstein号: 1719241
• PubChem SID: 24882182; 162035169; 24857984
• PubChem CID: 2724002

理论计算性质

• Acid pKa: 15.12735
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -2.6564274
• LogD (pH = 7.4): -1.9765102
• Log P: 0.3551243
• 摩尔折射率: 34.3035 cm^3
• 极化性: 13.926987 Å^3
• 极化表面积: 46.25 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

• 沸点: 198-200 °C/768 mmHg(lit.); 198-200°C/690mm
• 闪点: 194 °F; 90 °C; 90°C(194°F)
• 密度: 0.907 g/mL at 20 °C(lit.); 0.917; 0.917 g/mL at 25 °C(lit.); 0.92 g/ml
• 折射率: 1.4496; n20/D 1.4496(lit.); n20/D 1.450
• 比旋光度: [α]20/D -4.0±0.5°, c = 9% in ethanol; [α]20/D -4°, c = 9 in ethanol; -3.2 (c=9 in ethanol)

安全信息

• 保存注意事项: Air Sensitive; IRRITANT; Irritant/Keep Cold
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/38
• 安全公开号: 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H227
• GHS警示性声明: P280G-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; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥98.0% (sum of enantiomers, GC); 95+%; 97%; 98%
• 级别: purum
• 光学纯度: enantiomeric ratio: ≥99:1 (GC)
• 线性分子式: (CH3)2CHCH2CH(NH2)CH2OH
• Empirical Formula (Hill Notation): C6H15NO

详细说明

MP Biomedicals - 02155194

([R]-2-Amino-4-methyl-1-pentanol) 1 ml = approx. 0.92 g.

Sigma Aldrich - 298417

包装
1, 5 g in glass bottle

Sigma Aldrich - 61915

Other Notes
羟基的 N-保护和转化1,2,3；选择性 O-衍生化4

Toronto Research Chemicals - L330120

Potent antiproliferative agent, exhibits growth inhibition and induction in melanoma cells. Efficient organocatalysts for the cross-aldol reaction of isatin and its derivatives.

参考文献

• Landau, O., et al.: Cancer Lett., 69, 203 (1993)
• Malkov, A., et al.: Org. Lett., 9, 5473 (1993)