N,N'-Dicyclohexylcarbodiimide N,N'-二环己基碳二亚胺

CAS 538-75-0 MFCD00011659

化学结构图

538-75-0
SMILES: C(=Nc1ccccc1)=NC1CCCCC1

化学属性

Mol. FormulaC13H22N2
Mol. Weight206.33
Boiling Point277°C at 760 mmHg
Melting Point34-35°C
Density0.980
Flash Point113°C
TSCAYes
Refractive indexn20/D 1.503
SolubilitySoluble in methanol, chloroform, dichloromethane (100 mg/ml), and most organic solvents. Insoluble in water.
Appearance 白色结晶或微黄色透明液体。熔点35-36℃,沸点154-156℃(1.47kPa),98-100℃(66.7kPa)。溶于苯、乙醇、乙醚,不溶于水。
Stability对湿度敏感

别名和识别编码

Chemical NameN,N'-Dicyclohexylcarbodiimide
CAS Number538-75-0
Synonym N,N-Dicyclohexylcarbodiimide(DCC) {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC) {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N,N-Dicyclohexylcarbodiimide(DCC)
PubChem Substance ID87567115
EC Number208-704-1
Beilstein Registry Number610662
MDL NumberMFCD00011659
Merck Number3096
Chemical Name TranslationN,N'-二环己基碳二亚胺
Reaxys-RN610662
LabNetwork Molecule IDLN00195819
InChIInChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2
Canonical SMILESC1(N=C=NC2CCCCC2)CCCCC1
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分类

  • {uni_hamburg}
  • {SNA} Bioactive Small Molecules, Carbodiimides, Chemical Synthesis, Coupling, D-DIF, Synthetic Reagents, 细胞生物学
  • {SNA} Bioactive Small Molecules, Carbodiimides, Chemical Biology, Chemical Synthesis, Coupling,
  • {SNA} Carbodiimides, Chemical Synthesis, Coupling,
  • {SNA} ChemDose, Chemical Synthesis, Specialty Synthesis
  • {SNA} Carbodiimides, Chemical Synthesis, Coupling, Synthetic Reagents
  • {SNA} Bioactive Small Molecules, Carbodiimides, Cell Biology, Chemical Biology, Chemical Synthesis, Coupling, D-DIF,

产品应用

  • 脱氢偶联试剂,修饰小牛心线粒体脱氢转移酶;抑制F1F0-ATPase和其它的质子转移酶。 多肽合成试剂。

相关文献及参考

  • In peptide coupling reactions, various auxiliary reagents have been used to suppress racemization. See, e.g., N-Hydroxysuccinimide, A10312, N-Hydroxyphthalimide, A13862, and endo-N-Hydroxy-5-
  • In the pre
  • For ester or thioester formation from an acid and an alcohol, the rate is greatly increased by addition of 4-(Dimethyl­amino)­pyridine, A13016: Angew. Chem. Int. Ed., 17, 522 (1978). For t-butyl esters, see: Org. Prep. Proced. Int., 20, 180 (1988); Org. Synth. Coll., 7, 93 (1990). The same combination has been found useful in macrolactonization reactions: J. Org. Chem., 50, 2394 (1985); and in formation of propynoic esters under mild conditions: Tetrahedron Lett., 30, 4575 (1989).
  • In the presence of H2SO4 or AlCl3, Friedel-Crafts cyclohexylation of arenes has been reported
  • Promotes a variety of acylation reactions between carboxylic acids and nucleophiles; the dicyclohexylurea by-product is almost insoluble in most solvents:
  • DCC has also been used in dehydrations, e.g. carboxylic acids to anhydrides: J. Am. Chem. Soc., 85, 1997 (1963); J. Org. Chem., 54, 1922 (1989); primary amides: J. Org. Chem., 26, 3356 (1961), and aldoximes: Synth. C
  • DCC has also been used in dehydrations, e.g. carboxylic acids to anhydrides: J. Am. Chem. Soc., 85, 1997 (1963); J. Org. Chem., 54, 1922 (1989); primary amides: J. Org. Chem., 26, 3356 (1961), and aldoximes: Synth. Commun., 3, 101 (1973); 12, 25 (1982) to nitriles; dialkylacetic acids to ketenes (where stable): Synthesis, 568 (1989). The combination with Dimethyl­ sulfoxide, A13280, is used in the Pfitzner-Moffatt oxidation of alcohols to carbonyl compounds under mild conditions: J. Am. Chem. Soc., 85, 3027 (1963); 87, 5661, 5670 (1965); Org. Synth. Coll., 5, 242 (1973); review: Synthesis, 857 (1990).
  • Neises, B. et al.: Org. Synth., 7, 93 (1990); Liang, G.-B. et al.: Tetrahed. Lett., 37, 6627 (1996);
  • Merck:14,3096
  • Merck:1

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H351 Suspected of causing cancer 怀疑致癌
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H312 Harmful in contact with skin 皮肤接触有害
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H302+H312
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3 6.1 8 T T+
RTECSFF2160000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P301+P330+P331+P310
  • P302+P350
  • P302+P352+P312
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P308+P311
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P370+P378
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S24 Avoid contact with skin 避免皮肤接触;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S41 In case of fire and/or explosion do not breathe fumes 着火和/或爆炸时,不要吸入烟雾;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
UN Number 2811 2929 3286
Risk Statements
  • R10 Flammable 易燃
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R38 Irritating to skin 刺激皮肤
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive Store at RT. Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupII
Hazard Class3/6.1, 8

其他信息

  • 图谱信息:二环己基碳二亚胺(538-75-0)Raman光谱 二环己基碳二亚胺(538-75-0)核磁图( 13 CNMR) 二环己基碳二亚胺(538-75-0)红外图谱(IR1) 二环己基碳二亚胺(538-75-0)红外图谱(IR2) 二环己基碳二亚胺(538-75-0)红外图谱(IR3)
  • Acros Organics:二环己基碳二亚胺/DCC N,N'-Dicyclohexylcarbodiimide, 0.1M sol.in DCM, peptide synthesis grade(538-75-0)
  • {
  • 上游原料:吡啶 --> 尿素 --> 二硫化碳 --> 环己胺 --> 十二氢二苯胺 --> N,N-二环己脲 --> 二环己基硫脲 --> N,N'-二环己基硫脲
  • 用途四:脱氢偶联试剂,修饰小牛心线粒体脱氢转移酶;抑制F
  • 溶于苯、乙醇、乙醚等大多数有机溶剂
  • 用途二:用作生化试剂和有机合成脱水缩合剂
  • 存储注意事项:湿度敏感
  • 下游产品:S-3-氨基奎宁环胺盐酸盐 --> 依那普利 --> 2-氰基吡啶-4-醛 --> Β-丙氨酸叔丁酯盐酸盐 --> 萘酚AS-BI磷酸盐 --> 甲巯丙脯酸 --> 3-(2- 甲氧基 -5- 甲基苯基 )-3- 苯基丙酸 --> 1-(2-异氰基乙基)-4-甲基哌嗪 --> 叔丁基甲基马来酸酯 --> 异丁酸酐 --> 赖诺普利 --> 2-吗啉异烟酰醛 --> (6R,7R)-7-[[(2-氨基-4-噻唑基)-[(1-羧基-1-甲基乙氧基)亚氨基]乙酰基]氨基]-2-羧基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛-2-烯-3-甲基吡啶鎓内盐 --> 7-二乙基氨基-3-噻吩甲酰基香豆素 --> 头孢丙烯 --> 4-异氰基苯酮 --> 多西他赛 --> 腺苷环磷酸酯 --> 血管紧张素II --> 头孢地嗪 --> 贝前列素 --> 醋酸奥曲肽 --> 群多普利 --> 焦磷酸四苄酯 --> 帕罗西汀 --> 盐酸贝奈克酯 --> 伊布利特 --> 拉坦前列腺素
  • 用途三:用于阿米卡星及氨基酸的合成脱水,是一种很好的低温生化脱水剂,也用于酸、酐、醛、酮等的合成。在日本,用于谷胱甘肽的脱水剂,占总消费的90%。该品作为脱水缩合剂时,可在常温下经短时间反应即成,反应后产物为二环己基脲。由于该产物在有机溶剂中溶解度很小,所以反应产物易于分离;同时,由于该品很难溶于水,因此即使是在水溶液中,反应仍然可以进行下去。该品还用于肽、核酸的合成,使用本品可以在室温下很容易由具有游离羧基的化合物和具有游离氨基的化合物合成肽,并且收率很高。用于生产增血压素、环磷酸腺苷。
  • Alfa Aesar:N,N'-二环己基碳二亚胺,99% N,N'-Dicyclohexylcarbodiimide, 99%(538-75-0)
  • TCI Shanghai:N,N'-二环己基碳二亚胺[用于肽合成] N,N'-Dicyclohexylcarbodiimide [for Peptide Synthesis],>;98.0%(GC)(538-75-0)
  • Sigma Aldrich:538-75-0(sigmaaldrich)
  • 二环己基碳二亚胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw020080 N,N’-二环己基碳二亚胺 100g 135元 2011/08/23 30056326 N,N-二环己基碳酰亚胺 100g 65元 2011/08/23 30056328 N,N-二环己基碳酰亚胺 500g 260元
  • 检测方法:GC,NMR
  • 方法一:1.二环己基硫脲法工业上由环己胺与二硫化碳反应生成N,N'-二环己基硫脲,经脱硫化氢而得。2.二环己胺尿素法也可由N,N'-二环己基脲与五氧化二磷在吡啶中反应而得。
  • 敏感性:Moisture Sensitive
  • 用途一:主要用于阿米卡星及氨基酸的合成脱水,是一种很好的低温生化脱水剂
  • 溶于苯、乙醇、乙醚等大多数有机溶剂,不溶于水,和水反应。对潮湿敏感,皮肤接触可引起过敏。二氯甲烷溶解度:1G / 10ML。

系列性分类