D-丙氨酸甲酯盐酸盐 (HCID 11182647)

名称与标识

首选名称: Methyl D-alaninate hydrochloride
IUPAC: methyl (2R)-2-aminopropanoate;hydrochloride
中文名: D-丙氨酸甲酯盐酸盐
英文名: D-Alanine Methyl Ester Hydrochloride
分子式: C4H10ClNO2
分子量: 139.58

名称与别名

Methyl D-alaninate hydrochlorideMethyl D-alaninate HClEINECS 238-258-3NSC 523192RefChem:817702238-258-314316-06-4D-Alanine methyl ester hydrochlorideH-D-Ala-OMe.HClH-D-Ala-OMe HClmethyl (2R)-2-aminopropanoate;hydrochlorideMFCD00066141

展开更多名称

D-丙氨酸甲酯盐酸D-丙氨酸甲酯D-丙氨酸甲酯盐酸盐D-丙氨酸甲基酯盐酸D-丙氨酸甲酯酯盐酸盐(R)-2-丙氨酸甲酯盐酸盐D-丙氨酸甲酯盐酸盐,98%化合物 H-D-ALA-OME.HCLD-丙氨酸甲酯盐酸盐/盐酸D-丙氨酸甲酯PERFEMIKER]D-丙氨酸甲酯盐酸盐,98%D-ALANINE METHYL ESTER HCLD-AlaninaNsc523192D-Ala-OMe HClD-ALANINE-OME HCLAcetyl Bromide LRD-Alanine Methyl Est

Methyl (2R)-2-aminopropanoate hydrochloride(R)-methyl 2-aminopropanoate hydrochlorideD-Alanine, methyl ester, hydrochlorideD-alanine methylester hydrochloride(D)alanine methyl ester hydrochlorideHY-W007986Methyl (R)-2-Aminopropionate HydrochlorideEN300-107305

数据库标识

CAS: 14316-06-4
PubChem CID: 11182647
DTXSID: DTXSID101366432
EC Number: 238-258-3

性质

结构计算性质

极性表面积: 52.3 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 8
形式电荷: 0
复杂度: 72.1

物理化学性质

熔点: 108 · 108-110 °C(lit.)
比旋光度: -8 · -8 º (c=1.6, MeOH)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: DMSO (Sparingly), Methanol (Sparingly), Water (Slightly)
形态: Crystalline Powder
颜色: White to off-white
水溶解性: 100 mg/ml · Soluble in Water 100 mg/ml.
主要应用: peptide synthesis
InChI: InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H/t3-;/s3
InChIKey: IYUKFAFDFHZKPI-DFWYDOINSA-N
SMILES: C(OC)(=O)[C@@H](C)N.[H]Cl |&1:4,r|
CAS 数据库: 14316 · 14316-06-4(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H315 (40%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationStatus: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25004

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

安全数据

wgk: 3
存储类别: 11 - Combustible Solids
安全说明: 24/25
海关编码: 29224999
危险品标志: Xi

化学与工业

应用领域

用途多肽合成砌块

制备方法 · 1 条

生产方法通用程序：将亚硫酰氯（SOCl，21.8 mL，0.3 mol）和（S）-丙氨酸（8.91 g，0.1 mol）依次加入甲醇（CHOH，100 mL）中，室温下搅拌反应2小时。反应完成后，减压蒸馏除去溶剂。将残余物溶解于甲醇（30 mL）中，再次减压蒸馏除去有机溶剂。此溶解-蒸馏过程重复两次。最终得到无色无定形固体产物D-丙氨酸甲酯盐酸盐，熔点103℃（文献值98-99℃），产量14.3 g（产率>99%）。参考文献：[1] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 17, p. 4778 - 4799[2] Organic Preparations and Procedures International, 2002, vol. 34, # 1, p. 87 - 94[3] Tetrahedron Letters, 1989, vol. 30, # 3, p. 313 - 316[4] Journal of Medicinal Chemistry, 2015, vol. 58, # 15, p. 6293 - 6305[5] European Journal of Organic Chemistry, 2010, # 22, p. 4276 - 4287