beta-Alanine β-丙氨酸

CAS 107-95-9 MFCD00008200

化学结构图

107-95-9
SMILES: NCCC(=O)O

化学属性

Mol. FormulaC3H7NO2
Mol. Weight89.09
Melting Point202°C
Density1.437
TSCAYes
Flash Point97.2±22.6°C
Appearance 白色粉末
SolubilityH2O: 1 M at 20 °C, clear, colorless
Boiling Point237.1±23.0°C at 760 mmHg

别名和识别编码

Chemical Nameβ-Alanine
CAS Number107-95-9
Alfabeta NameAMINOPROPANOICACID 3-
MDL NumberMFCD00008200
Synonym β-Alanine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number4(4)2526
PubChem Substance ID239
EC Number203-536-5
Reaxys-RN906793
Merck Number205
Chemical Name Translationβ-丙氨酸
LabNetwork Molecule IDLN00173100
InChIInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
Canonical SMILESNCCC(O)=O
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分类

  • {SNA} A - H, A-AM, Amino Acids, Beta
  • {SNA} Amino Acids, BioUltra, Humulus lupulus (Hops), Phytochemicals by Plant (Food/Spice/Herb), 生化试剂, 细胞生物学, 营养研究
  • {SNA} Amino Acids, Beta-Amino Acids, Chemical Biology, Chemical Synthe

产品应用

  • 内源性β-氨基酸,非选择性甘氨酸受体激动剂,G-蛋白偶联孤儿受体(TGR7,MrgD)配体。靠支持海洋生物的渗透稳定,β-氨基酸流出起到细胞保护作用。

相关文献及参考

  • Derave, W. et al.: J. Appl. Physiol., 103, 1736 (2007); Xia, J.-F. et al.: J. Chrom. B Anal. Technol. Biomed. Life Sci., 977, 1930 (2009); Artioli, G.G. et al.: Med. Sci. Sports Exer.,42, 1162 (2010);
  • Effective catalyst for the Knoevenagel condensation, for example of ethyl cyanoacetate with 2-butanone: Org. Synth. Coll., 4, 93 (1963), and of malononitrile with various substrates, where stronger bases would cause self-condensation of the nitrile: J. Org. Chem., 38, 1512 (1973); Synthesis, 669 (1974).
  • Hammer, M.A., and Baltz, J.M., β-alanine but not taurine can function as an organic osmolyte in preimplantation mouse embryos. Mol. Reprod. Dev. 66 , 153-161, (2003) 摘要
  • Heyland J., et al., Simple enzymatic procedure for L- carnosine synthesis: whole-cell biocatalysis and efficient biocatalyst recycling. Microbio. Biotech. 3 , 74-83, (2010)
  • Hoeger, U., and Abe, H., β-Alanine and other free amino acids during salinity adaptation of the polycha

安全信息

Warnings IRRITANT
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
WGK Germany3
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
RTECSUA2369200
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {
Hazard statements

其他信息

  • 用途三:内源性β-氨基酸,
  • 下游产品:L-丙氨酸 --> Β-丙氨酸叔丁酯盐酸盐 --> 5-氯-1H-吲唑-3-乙酸 --> 泛酸钙 --> 2-[2-(4-氟苯基)-2-氧代-1-苯基乙基]-4-甲基-3-氧代-N-苯基戊酰胺 --> N-叔丁氧羰基-4-哌啶酮 --> 3-马来酰亚胺基丙酸 --> 苯并呋喃硫酰氯 --> 五肽胃泌素 --> 帕米膦酸 --> N-羟乙基-N-羟烷基-Β-氨基丙酸 --> N-异丙基-Β-丙氨酸乙酯 --> 分散兰148 --> N-异丙基-N-氯化硫-Β-丙氨酸乙酯 --> N-叔丁氧羰基-Β-丙氨酸 --> 泛酸钙单水合物
  • 溶于水,水中溶解度:55 g/100ml (25°C),微溶于乙醇,不
  • 海关编码:29224920
  • Decomposition:204-206 °C
  • MSDS 信息:3-Aminopropanoic acid(107-95-9).msds
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种
  • beta-氨基丙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 62001534 β-丙氨酸;3-氨基丙酸 25g 32元 2011/08/23 K0516001 β-丙氨酸;3-氨基丙酸 50g 207元 2011/04/16 A0180 β-丙氨酸 beta-Alanine 500G 477元
  • Acros Organics:B-丙氨酸 beta-Alanine, 99+%(107-95-9)
  • 图谱信息:beta-氨基丙酸(107-95-9)红外图谱(IR1) beta-氨基丙酸(107-95-9)质谱(MS) beta-氨基丙酸(107-95-9)核磁图( 13 CNMR) beta-氨基丙酸(107-95-9)Raman光谱 beta-氨基丙酸(107-95-9)红外图谱(IR2) beta-氨基丙酸(107-95-9)核磁图( 1 HNMR)
  • Alfa Aesar:β-丙氨酸,98% beta-Alanine, 98%(107-95-9)
  • MOL 文件:107-95-9.mol
  • TCI Shanghai:β-丙氨酸 beta-Alanine,>;99.0%(T)(107-95-9)
  • 方法一:1.丙烯腈与氨在二苯胺和叔丁醇溶液中反应,生成β-氨基丙腈,再进行碱解即得。在干燥的高压釜中依次加入丙烯腈、二苯胺、叔丁醇,搅拌5min,加入液氨,控制温度100-109℃,压力约1MPa,保温搅拌4h。冷至10℃以下,压力降为常压时停止搅拌。于65-70℃/(8.0-14.7kPa),减压回收叔丁醇,得粗品β-氨基丙腈,粗品再减压蒸馏,收集66-105℃/(1.33-4.0kPa)馏分,得β-氨基丙腈。碱解操作在反应罐进行,先投入液碱,控制温度90-95℃-搅拌下缓缓滴加β-氨基丙腈,加毕,保温1h。减压蒸发半小时驱除反应液内的氨,加适量水,滴加盐酸至pH7-7.2。过滤,除去少量不溶杂质。滤液减压浓缩至有大量固体析出,趁热出料,冷至10℃以下,过滤,真空干燥,得β-丙氨酸。该法每吨产品消耗β-氨基丙腈982kg,碱解阶段收率90%。2.由琥珀酰亚胺降解(霍氏反应)而得将碱性次氯酸钠溶液(含次氯酸钠14%,氢氧化钠8%,碳酸钠30%)和冰投入反应罐,搅拌下加入琥珀酰亚胺,在18-25℃反应0.5h。升温至40-50℃反应1h。加盐酸调节至pH4-5,减压浓缩。浓缩液冷却后,加3倍量的95%乙醇使无机盐析出,过滤,再重复1次。然后将滤液加4倍量蒸馏水稀释,回流1h。加活性炭脱色,过滤,滤液通过交换树脂交换。所得交换液加活性炭脱色,过滤,滤液减压浓缩,冷却结晶,过滤,用蒸馏水重结晶1次,β-氨基丙酸。3.β
  • 上游原料:次氯酸钠 --> 活性炭(脱色) --> 二苯胺 --> 丁
  • 溶于水,水中溶解度:55 g/100ml (25°C),微溶于乙醇,不溶于乙醚、丙酮和有机溶剂。50%水溶液pH值6.0-7.3。其氢氯化物为白色片状或叶片状结晶,其氯化铂盐为黄色片晶。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该

系列性分类