2-吡啶甲酸 | 98-98-6

中文名称:2-吡啶甲酸
英文名称:Picolinic acid
CAS No.:98-98-6
分子式:C6H5NO2 分子量:123.1094
上海瀚思化工有限公司
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江苏润丰合成科技有限公司
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湖北常鑫盛化工有限公司
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简介
        2-吡啶甲酸(Picolinic acid)白色或微红色针状结晶,易溶于冰乙酸,几乎不溶于乙醚、氯仿和二硫化碳,主要用于有机合成中间体。
名称和标识符
  • MDL:MFCD00006293
  • InChIKey:SIOXPEMLGUPBBT-UHFFFAOYSA-N
  • Inchi:1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
  • SMILES:O=C(O)C1=CC=CC=N1
  • BRN:109595
中文别名
  • 2-吡啶甲酸
  • 吡啶-2-甲酸
  • 2-甲酸吡啶
  • 吡啶-2-羧酸
  • 皮考林酸
  • 2-羧酸吡啶
  • 2-吡啶羧酸
  • 吡啶2-甲酸
  • 2-吡啶甲酸(有机合成中间体)
  • 2-吡啶甲酸;2-羧酸吡啶
  • 吡啶-2-羧
  • 二皮考啉酸
  • 皮考林
  • 2-皮考啉酸
  • 吡啶甲酸
  • 2-氮杂苯甲酸
  • 皮考啉酸
  • 2-皮考啉酸,99%
  • 2-羧酸吡啶/2-吡啶甲酸
英文别名
  • Picolinic acid
  • Pyridine-2-carboxylic acid
  • 2-Picolinic acid
  • 2-pyridinecarboxylic acid
  • PICOLINIC ACID(P)
  • Doripenem Condensation Compound
  • 2-acid pyridine
  • 2-Carboxypyridine
  • acidepicolique
  • Picolinic acid, 99% 25GR
  • alpha-Pyridinecarboxylic acid
  • alpha-pyridinecarboxylicacid
  • o-Pyridinecarboxylic acid
  • o-pyridinecarboxylicacid
  • Pyridinecarboxylic acid-(2)
  • Pyridine-carboxylique-2
  • Picolinic Acid
  • 2-Pyridinecarboxylic acid
  • PCL 016
  • 2-pyridine carboxylic acid
  • MLS001335932
  • CHEBI:28747
  • InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
  • 2-Picolate
  • F2191-0113
  • LS-96350
  • C9DF3EBC-98F0-4165-BE9A-92F8EE33CDBA
  • EN300-18459
  • s6249
  • alpha-Picolinic acid
  • 5-22-02-00003 (Beilstein Handbook Reference)
  • BP-13036
  • Q416682
  • P0421
  • FT-0608336
  • UNII-QZV2W997JQ
  • HY-I0660
  • 98-98-6
  • BCP26613
  • Tox21_202953
  • NSC 171
  • CHEMBL72628
  • Acide picolique [French]
  • 88161-53-9
  • pyridine carboxylic acid
  • pyridinium 2-carboxylate
  • Z57968195
  • AC-2105
  • 2-pyridincarboxylic acid
  • BRN 0109595
  • SY001169
  • SIOXPEMLGUPBBT-UHFFFAOYSA-
  • CAS-98-98-6
  • HMS2232K05
  • Tox21_112282_1
  • NSC21209
  • AB00685
  • Picolinic acid (PCL 016)
  • picolic acid
  • pyridine-carboxylic acid
  • a-Pyridinecarboxylic acid
  • Nikogamol
  • DTXCID5011903
  • .alpha.-Pyridinecarboxylic acid
  • 2-pyridine-carboxylic Acid
  • NSC 21209
  • NCI60_001382
  • NCGC00165993-01
  • EINECS 202-719-7
  • 2-Picolinic acid, Vetec(TM) reagent grade, 98%
  • NSC-171
  • 6PC
  • LS-2195
  • CS-D1196
  • picolinicacid
  • PICOLINIC ACID [MI]
  • Oprea1_485360
  • SCHEMBL36055
  • PS-4253
  • BP-21456
  • 2-picolic acid
  • Picolinic acid
  • (2-Pyridinecarboxylic acid)
  • 2-pyridine carboxic acid
  • W-100058
  • DTXSID7031903
  • QZV2W997JQ
  • STL164340
  • 32075-31-3
  • BDBM50000407
  • Phenyl-(2-pyridyl)acetonitrile
  • PYRIDINECARBOXYLIC ACID
  • picolinic-acid
  • pyridin-2-carboxylsyre
  • AKOS000119032
  • STR00111
  • TOS-BB-0927
  • SMR000814709
  • Acide picolique
  • A-Picolinic acid
  • CCRIS 8307
  • AI3-19242
  • NCGC00260499-01
  • Tox21_112282
  • NCGC00165993-02
  • 2-Picolinic acid, ReagentPlus(R), 99%
  • picolinic acid
  • AM81303
  • MLS001335931
  • NSC171
  • 2-pyridinecarboxylate
  • Pyridine-carboxylique-2 [French]
  • Pyridine-A-carboxylic acid
  • Nicogamol
  • MFCD00006293
  • NS00014903
  • A15945
  • PLA
  • picolinate
  • PYRIDINE-2-CARBOXYLIC ACID
  • 2-carboxypyridine
  • alpha-picolinic acid
  • MLSMR
  • o-pyridinecarboxylic acid
  • alpha-pyridinecarboxylic acid
计算特性
  • 精确分子量:123.03200
  • 氢键供体数量:1
  • 氢键受体数量:3
  • 可旋转化学键数量:1
  • 同位素质量:123.032
  • 重原子数量:9
  • 复杂度:114
  • 同位素原子数量:0
  • 确定原子立构中心数量:0
  • 不确定原子立构中心数量:0
  • 确定化学键立构中心数量:0
  • 不确定化学键立构中心数量:0
  • 共价键单元数量:1
  • 疏水参数计算参考值(XlogP):
  • 互变异构体数量:
  • 表面电荷:0
  • 拓扑分子极性表面积:50.2A^2
  • 分子量:123.11
实验特性
  • LogP:0.77980
  • PSA:50.19000
  • Merck:7403
  • 折射率:1.5423 (estimate)
  • 水溶性:887 g/L (20 ºC)
  • 沸点:229.19°C (rough estimate)
  • 熔点:139-142 °C (lit.)
  • 蒸气压:0.0±0.6 mmHg at 25°C
  • 闪点:139°(232°F)
  • 溶解度:H2O: 50 mg/mL, clear
  • 颜色与性状:白色或微红色针状结晶
  • PH值:3.1 (50g/l, H2O, 20℃)
  • 溶解性:易溶于冰乙酸,几乎不溶于乙醚、氯仿和二硫化碳。
  • 酸度系数(pKa):1.07(at 25℃)
  • 最大波长(λmax):265(EtOH)(lit.)
  • 密度:1.3147 (rough estimate)
国际标准相关数据
  • EINECS:202-719-7
海关数据
  • 海关编码:29333999
  • 海关数据:

    中国海关编码:

    29333999
生产方法和用途
  • 用途:

    2‑吡啶甲酸是重要的有机合成中间体,在医药工业中用于制备卡波卡因药物和神经性药物,在神经抑制和局部麻醉方面应用广泛

  • 生产方法:

    将50g2-甲基吡啶加入2500ml水中,加热搅拌,加入90g高锰酸钾,约1h后再加入第二份90g高锰酸钾。补加500ml水并继续加热2-2.5h,直至紫色消失。冷却,滤出二氧化锰沉淀,用热水洗涤。将滤液减压浓缩,过滤。浓缩液用浓盐酸酸化至刚果红酸性后蒸发至干,将其与250ml95%乙醇检煮回流1h。过滤,滤饼用95%乙醇提取,合并乙醇滤液及提取液,通入干燥的氯化氢,至晶体开始析出为止。冷却至10℃,再通氯化氢至馏和,滤出吡啶甲酸盐酸盐,干燥后得43-44g。

专业数据库参考
参考资料
  • Reaxys RN:109595
  • Beilstein:109595
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