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化合物简介
4-Hydroxy-TEMPO or TEMPOL, formally 4-hydroxy-2,2,6,6-tetramethylpiperidin-1-oxyl, is a heterocyclic compound. Like the related TEMPO, it is used as a catalyst and chemical oxidant by virtue of being a stable radical. Its major appeal over TEMPO is that is less expensive, being produced from triacetone amine, which is itself made via the condensation of acetone and ammonia. This makes it economically viable on an industrial scale.
基本信息
CAS：2226-96-2
中文别名：4-羟基-TEMPO;哌啶醇氧化物;4-羟基哌啶醇氧自由基;4-羟基-2,2,6,6-四甲基哌啶-1-氧自由基;4-羟基-2,2,6,6-四甲基哌啶1-氧基自由基;阻聚剂ZJ-701;4-羟基-2,2,6,6,-四甲基-4-哌啶基氧自由基;4-羟基-2,2,6,6-四甲基哌啶氮氧自由基;氮氧自由基哌啶醇;
英文别名：4-hydroxy-2,2,6,6-tetramethyl-piperidinyloxy;4-Oxypiperidol;NR-I;4-Hydroxy-2,2,6,6-te;4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxy;4-OH-TEMPO;4-Hydroxy-TEMPO;2,2,6,6-Tetramethyl-4-hydroxy-1-piperidinyloxy radical;nr1;4-hydroxy-2,2,6,6-tetramethyl piperidinyloxy,free radical;4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl;4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl free radical;TMPN;4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl,TEMPOL;4-Hydroxy-TEMPO Free Radical;TEMPOL;4-hydroxy-2,2,6,6-tetramethylpiperidinoxy radical;Tanol;nitroxyl2;HYDROXY-TEMPO;4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy,free radical;
分子式：C9H18NO2
分子量：172.245
精确质量：172.134
Psa：23.47
Logp：1.2837
中文别名：4-羟基-TEMPO;哌啶醇氧化物;4-羟基哌啶醇氧自由基;4-羟基-2,2,6,6-四甲基哌啶-1-氧自由基;4-羟基-2,2,6,6-四甲基哌啶1-氧基自由基;阻聚剂ZJ-701;4-羟基-2,2,6,6,-四甲基-4-哌啶基氧自由基;4-羟基-2,2,6,6-四甲基哌啶氮氧自由基;氮氧自由基哌啶醇;
英文别名：4-hydroxy-2,2,6,6-tetramethyl-piperidinyloxy;4-Oxypiperidol;NR-I;4-Hydroxy-2,2,6,6-te;4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxy;4-OH-TEMPO;4-Hydroxy-TEMPO;2,2,6,6-Tetramethyl-4-hydroxy-1-piperidinyloxy radical;nr1;4-hydroxy-2,2,6,6-tetramethyl piperidinyloxy,free radical;4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl;4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl free radical;TMPN;4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl,TEMPOL;4-Hydroxy-TEMPO Free Radical;TEMPOL;4-hydroxy-2,2,6,6-tetramethylpiperidinoxy radical;Tanol;nitroxyl2;HYDROXY-TEMPO;4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy,free radical;
分子式：C9H18NO2
分子量：172.245
精确质量：172.134
Psa：23.47
Logp：1.2837
编号系统
EINECS号：218-760-9
BRN号：1422990
PubChem号：24850555
RTECS号：TN8991000
MDL号：MFCD00006478
BRN号：1422990
PubChem号：24850555
RTECS号：TN8991000
MDL号：MFCD00006478
物化性质
外观与性状：橙色晶体
密度：1.187 g/cm3
沸点：269ºC
熔点：69-71°C(lit.)
水溶解性：soluble
稳定性：Stable. Incompatible with strong oxidizing agents.
储存条件：2-8ºC
密度：1.187 g/cm3
沸点：269ºC
熔点：69-71°C(lit.)
水溶解性：soluble
稳定性：Stable. Incompatible with strong oxidizing agents.
储存条件：2-8ºC
安全信息
RTECS号：TN8991000
安全说明：S26-S36-S37/39
危险类别码：R22; R36/38
WGK Germany：1
海关编码：29333999
危险品标志：Xn
危险性描述：H302; H315; H319; H335
危险标志：GHS07
危险性防范说明：P261; P305 + P351 + P338
信号词：Warning
安全说明：S26-S36-S37/39
危险类别码：R22; R36/38
WGK Germany：1
海关编码：29333999
危险品标志：Xn
危险性描述：H302; H315; H319; H335
危险标志：GHS07
危险性防范说明：P261; P305 + P351 + P338
信号词：Warning
生产方法及用途
用途
该品对丙烯酸酯类、甲基丙烯酸酯类、丙烯酸、丙烯腈、苯乙烯、丁二烯有较好的阻聚效果。其阻聚性能优于酚类、芳胺类、醚类、醌类和硝基化合物等阻聚剂。用于防止烯烃单体在生产、分离、精制、储存或者运输过程中的自聚,控制和调节烯烃类及其衍生物的聚合度
该品对丙烯酸酯类、甲基丙烯酸酯类、丙烯酸、丙烯腈、苯乙烯、丁二烯有较好的阻聚效果。其阻聚性能优于酚类、芳胺类、醚类、醌类和硝基化合物等阻聚剂。用于防止烯烃单体在生产、分离、精制、储存或者运输过程中的自聚,控制和调节烯烃类及其衍生物的聚合度
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict
Mass spectrum (electron ionization)
Mass
ESR : IN TOLUENE
ESR : PHOSPHATE TRIRADICAL, IN THF, RT
ESR : SPIN LABELED CROWN ETHER/KSCN/ETHANOL, HALF FIELD
ESR : SILICATE TETRARADICAL, IN THF, RT
ESR : SPIN LABELED WITH CU(II) PORPHYRIN, WET, Q-BAND
ESR : IN BENZENE, RT
ESR : SPIN LABELED CROWN ETHER/KSCN/ETHANOL, 77K
ESR : SPIN LABELED WITH CU(II) PORPHYRIN, DRIED SAMPLE
ESR : IN ETHER, 77K
ESR : SPIN LABELED WITH CU(II) PORPHYRIN, WET SAMPLE
ESR : SPIN LABELED CROWN ETHER/KSCN/ETHANOL, RT
IR : nujol mull
IR : KBr disc
