1-Hydroxybenzotriazole hydrate, 99% 1-羟基苯并三氮唑 水合物

CAS 123333-53-9 MFCD00065690

化学结构图

123333-53-9
SMILES: O.On1nnc2ccccc21

化学属性

Mol. FormulaC6H7N3O2
Mol. Weight153.14
Melting Point155-158°C
TSCAYes
Density1.51
Boiling Point248.8 °C at 760 mmHg

别名和识别编码

Chemical Name1-Hydroxybenzotriazole hydrate, 99%
CAS Number123333-53-9
Alfabeta NameBENZOTRIAZOLOLHYDRATE H11231----,,
MDL NumberMFCD00065690
Synonym 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1H-Benzo[d][1,2,3]triazol-1-ol xhydr
PubChem Substance ID2796029
Beilstein Registry Number4515
EC Number219-989-7
Chemical Name Translation1-羟基苯并三氮唑 水合物
InChIInChI=1S/C6H5N3O.H2O/c10-9-6-4-2-1-3-5(6)7-8-9;/h1-4,10H;1H2
Canonical SMILESON1N=NC2=CC=CC=C21.O
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分类

  • {SNA} Active Esters/Additives, Chemical Synthesis, Coupling, Synthetic Reagents
  • {SNA} Active Esters/Additives, Chemical Biology, Chemical Synthesis, Coupling, Peptide Chemistry, Peptide Coupling, Synthetic Reagents

产品应用

  • 合成乌苯美司的中间体、多肽保护剂。广泛用于在以碳二亚胺类缩合剂进行的多肽缩合反应，可显著降低消旋比率，亦用于多肽片断缩合时防止消旋的产生。

相关文献及参考

  • Widely used additive which reduces racemization in the carbodiimide method of peptide coupling: Chem. Ber., 103, 788 (1970); J. Am. Chem. Soc., 93, 6318 (1971); Helv. Chim. Acta, 56, 717 (1973). The rate of peptide coupling is increased both in the solution method: Chem. Ber., 3626 (1973), and on solid supports: Tetrahedron Lett., 199 (1976). Addition of CuCl2 further reduces racemization: J. Chem. Soc., Chem. Commun., 419 (1988). A two-phase solvent system (DCM-water or isopropyl acetate-water) in conjunction with 1-(3-Dimethyl­aminopropyl)-3-ethyl­carbodiimide hydrochloride, A10807 (water-soluble carbodiimide), has been found to give superior results in this type of peptide coupling: J. Org. Chem., 60, 3569 (1995). Substoichiometric amounts (ca. 0.1 mol) of the additive in conjunction with the same coupling agent in DMF-water have been found to give good results: Chem. Lett., 1 (1997). The reagent also be used to form active esters with coupling as a separate step. For peptide reagents, see Appendix 6.
  • For use in protection of diols as cyclic silyl ethers, see Di-tert-butyl­dichlorosilane, L03162.

安全信息

Warnings IRRITANT
WGK Germanynwg
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P370+P380
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H203 Explosive; fire, blast or projection hazard 爆炸品；火灾、爆炸或喷射危险。
  • H228 Flammable solid 易燃固体
Signal word Danger Warning
RTECSDM1288000
Safety Statements
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S35 This material and its container must be disposed of in a safe way 该物料及其容器必须以安全方式处置；
Risk Statements
  • R1 Explosive when dry 干燥时易爆
  • R11 Highly flammable 非常易燃
  • R44 Risk of explosion if heated under confinement 密封下加热有爆炸危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Hazard Codes F
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzotriazoles 苯并三唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Triazoles 三唑
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Coupling - Synthetic Reagents
  4. Active Esters/Additives - Coupling
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Peptide Coupling - Peptide Chemistry
  5. Active Esters/Additives - Peptide Coupling

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