1-(Diphenylmethyl)Piperazine 1-(二苯基甲基)哌嗪

CAS 841-77-0 MFCD00038379

化学结构图

841-77-0
SMILES: c1ccc(C(c2ccccc2)N2CCNCC2)cc1

化学属性

Mol. FormulaC17H20N2
Mol. Weight252.36
Density1.422
Melting Point90°C
TSCANo
Flash Point115°C
Solubility0.45 G/L (20 ºC)
Boiling Point185 °C at 2 mmHg

别名和识别编码

Chemical Name1-(Diphenylmethyl)Piperazine
CAS Number841-77-0
Alfabeta NameBENZHYDRYLPIPERAZINE 1--
MDL NumberMFCD00038379
Synonym 1-Benzhydrylpiperazine {LY} 1-Benzhydrylpiperazine {} {LY} 1-Benzhydrylpiperazine {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Benzhydrylpiperazine {} {} {} {} {} {} {} {} {} {} {} {}
EC Number212-667-7
Beilstein Registry Number222773
PubChem Substance ID70048
Chemical Name Translation1-(二苯基甲基)哌嗪
Reaxys-RN222773
InChIKeyNWVNXDKZIQLBNM-UHFFFAOYSA-N
Wiswesser Line NotationT6M DNTJ DYR&R
LabNetwork Molecule IDLN00126507
InChIInChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
Canonical SMILESN1(C(C2=CC=CC=C2)C3=CC=CC=C3)CCNCC1
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分类

  • Pharmaceuticals
  • {SNA} Building Blocks, C16 to C29, Chemical Synthesis, Heterocyclic Building Blocks, Piperazines
  • Aromatics
  • Heterocycles
  • Intermediates & Fine Chemicals,

产品应用

  • Cinnarizine (C465300) impurity.

相关文献及参考

  • Zhang, H., et al.: Biochemistry, 43, 8290 (2004),

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • 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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R22 Harmful if swallowed 吞咽有害
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Precautionary statements
  • 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。
  • 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
  • P301+P312+P330
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
RTECSTL6465000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light Air Sensitive {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from
Hazard Codes Xn Xn,Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),28,1997

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TAKHAA Takeda Kenkyusho Ho.  Journal of the Takeda Research Laboratories.
   (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532,
   Japan)  V.29-    1970-  Volume(issue)/page/year: 31,453,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),28,1997

其他信息

  • F:34
  • Sigma Aldrich:841-77-0(sigmaaldrich)
  • Alfa Aesar:1-二苯甲基哌嗪,97% 1-Benzhydrylpiperazine, 97%(841-77-0)
  • 上游原料:哌嗪 --> 稀盐酸 --> 二苯甲醇 --> 二苯氯甲烷
  • 敏感性:Air Sensitive
  • MOL 文件:841-77-0.mol
  • 下游产品:桂利嗪 --> 奥沙米特 --> 美克洛嗪
  • Hazard Note:Irritant
  • Acros Organics:1-二苯甲基哌嗪 1-(Diphenylmethyl)piperazine, 97%(841-77-0)
  • 用途一:H1-受体拮抗剂奥沙米特(Oxatomide)的中间体。
  • MSDS 信息:Benzhydrylpiperazine(841-77-0).msds
  • 检测方法:NMR
  • 二苯甲基哌嗪价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 122931000 二苯甲基哌嗪 1-(Diphenylmethyl)piperazine 97% 100 GR 1110元 2010/06/21 122935000 二苯甲基哌嗪 1-(Diphenylmethyl)piperazine 97% 500 GR 4380元 2010/05/25 L11530 1-二苯甲基哌嗪,97% 1-Benzhydrylpiperazine, 97% 25g 269元
  • 方法一:将二苯甲醇9.2克加至浓盐酸53毫升中,搅拌回流1小时,冷却。用乙醚提取,无水硫酸钠干燥2小时,蒸出乙醚,残液转入滴液漏斗中备用。将无水哌嗪12.8克加至甲苯40毫升中,加热至80℃。滴加上述二苯氯甲烷,滴毕,保持80-90℃反应3小时,甲苯层用稀盐酸提取3次,提取液用氢氧化钠碱化,得淡黄色固体7.7克,收率61%,进一步提纯可用乙醇重结晶。
  • 存储注意事项:空气敏感

系列性分类


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