N-(4-Aminobenzoyl)-L-Glutamic Acid N-(4-氨基苯甲酰)-L-谷氨酸

CAS 4271-30-1 MFCD00042821

化学结构图

4271-30-1
SMILES: NC1C=CC(=CC=1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |&1:10|

化学属性

Mol. FormulaC12H14N2O5
Mol. Weight266.25
Melting Point175°C
Density1.418
Appearance 无色结晶。熔点173℃。能溶于水,微溶于醇,不溶于醚。
Boiling Point607.1°C at 760 mmHg

别名和识别编码

Chemical NameN-(4-Aminobenzoyl)-L-Glutamic Acid
CAS Number4271-30-1
Alfabeta NameAMINOBENZAMIDOPENTANEDIOICACID S24(())---
MDL NumberMFCD00042821
PubChem Substance ID87562068
Beilstein Registry Number2816320
EC Number224-261-7
Synonym (4-Aminobenzoyl)-L-glutamic acid {LY} (4-Aminobenzoyl)-L-glutamic acid {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (4-Aminobenzoyl)-L-glutamic acid {} {} {} {} {}
Reaxys-RN2816320
Merck Number426
Chemical Name TranslationN-(4-氨基苯甲酰)-L-谷氨酸
LabNetwork Molecule IDLN00153401
Canonical SMILESO=C(O)CC[C@@H](C(O)=O)NC(C1=CC=C(N)C=C1)=O
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分类

  • {SNA} A - H, Amino Acid Derivatives, Amino Acids, Chemical Biology, C
  • {SNA} A - H, Amino Acids, Amino Acids & Derivatives, Chemical Biology, Chemical Synthesis, Glutamic Acid, Modified Amino Acids, Peptide Chemistry, 生化试剂
  • {SA} Amino Acid Derivatives, Chemical Biology, Chemical Synthesis, Glutamic Acid, Peptide Chemistry
  • {SNA} A - H, Amino Acid Derivatives, Amino Acids, Biochemicals and Reagents, Chemical Biology, Chemical Synthesis, Glutamic Acid, Modified Amino Acids, Peptide Chemistry

产品应用

  • 医药中间体,用于甲氨喋呤、叶酸的生产。

相关文献及参考

  • Merck: 14,426 Beilstein: 14,IV,1153
  • Merck: 14,426

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
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

其他信息

  • 图谱信息:N-(4-氨基苯甲酰)-L-谷氨酸(4271-30-1)红外图谱(IR1)
  • MSDS 信息:N-(4-Aminobenzoyl)-L-glutamic acid(4271-30-1).msds
  • N-(4-氨基苯甲酰)-L-谷氨酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0442 N-(4-氨基苯甲酰)-L-谷氨酸 N-(4-Aminobenzoyl)-L-glutamic Acid 5G 2610元 2014/06/02 A0442 N-(4-氨基苯甲酰)-L-谷氨酸 N-(4-Aminobenzoyl)-L-glutamic Acid 1G 787元
  • Sigma Aldrich:4271-30-1(sigmaaldrich)
  • 方法一:对硝基苯甲酰氯与谷氨酸缩合,再用硫化铵还原而得:工艺过程如下:(1)缩合 将水、氧化镁、谷氨酸投入反应罐,调pH至8-9,搅拌使物料全部溶解。降温至20℃,缓缓滴加对硝基苯甲酰氯的苯溶液,控制温度不超过30℃,pH不低于7.5,反应液由白色变紫红色到褪色。加完后继续搅拌1-2h。静置分层,取下层水溶液过滤,上层苯液用少量水冼,水洗液与滤液合并,用盐酸调整PH至3-3.5,静置,析出对硝基苯甲酸,过滤,滤液加盐酸调至pH=1,强力搅拌,然后静置24h,析出结晶。过滤,得N-对硝基苯甲酰谷氨酸,熔点110-112℃。收率73%。(2)还原 将水、N-对硝基苯甲酰谷氨酸混合后,加入硫化铵,搅拌使溶解,缓缓加热煮沸蒸发至溶液pH6-7、体积的1/3时,停止加热,加活性炭脱色,过滤。滤液自然冷却到室温,用盐酸调至pH3-3.5,静置24h,析出结晶,过滤,滤饼用水洗涤,干燥,得N-对氨基苯甲酰-L-谷氨酸,熔点170-172℃,收率58%。
  • 比旋光度:-15 ° (c=2% in 0.1N HCl)
  • 上游原料:对硝基苯甲酸 --> 4-硝基苯甲酰氯 --> 硫化铵 --> 紫红 --> N-对硝基苯甲酰谷氨酸
  • 能溶于水,微溶于醇,不溶于醚。
  • MOL 文件:4271-30-1.mol
  • 用途一:医药中间体,用于甲氨喋呤、叶酸的生产。
  • TCI Shanghai:N-对氨基苯甲酰-L-谷氨酸 N-(4-Aminobenzoyl)-L-glutamic Acid,>;97.0%(T)(4271-30-1)

系列性分类


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