Cinnamamide, Predominantly trans 肉桂酰胺

CAS 621-79-4 MFCD00008033

化学结构图

621-79-4
SMILES: NC(=O)/C=C/c1ccccc1

化学属性

Mol. FormulaC9H9NO
Mol. Weight147.17
Melting Point148-150°C
TSCAYes
Appearance 白色结晶。熔点147℃。不溶于冷水，微溶于热水，溶于乙醚和二硫化碳。
Density1.121
Boiling Point350.3°C at 760 mmHg

别名和识别编码

Chemical NameCinnamamide, Predominantly trans
CAS Number621-79-4
Alfabeta NamePHENYLACRYLAMIDE 3-
MDL NumberMFCD00008033
Synonym Cinnamamide {LY} Cinnamamide {} {LY} Cinnamamide {} {} {LY} Cinnamamide {} {} {} {LY} Cinnamamide {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamamide
EC Number210-707-8
Beilstein Registry Number2040577
PubChem Substance ID5273472
Chemical Name Translation肉桂酰胺
Reaxys-RN2040577
Wiswesser Line NotationZV1U1R
InChIKeyAPEJMQOBVMLION-VOTSOKGWSA-N
InChIInChI=1S/C9H9NO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,10,11)/b7-6+
Canonical SMILESO=C(N)/C=C/C1=CC=CC=C1
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分类

  • {KO} Misc
  • {SNA} Amides, Building Blocks, C8 to C20+, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用于有机合成中间体。

相关文献及参考

  • Beilstein: 9,587
  • Transamidation with acetonitrile in the presence of formaldehyde and formic acid under mild conditions gives cinnamonitrile in 87% yield: J. Org. Chem., 61, 6486 (1996). For further details, see Benzamide, A10501.

安全信息

Warnings IRRITANT
RTECSGD6853000
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 62 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 153,895,1911

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 8,202,1973

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 {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
3
H-bond Donors
1
LogP
1

其他信息

  • 上游原料:氧氯化硫 --> 肉桂酰氯
  • Acros Organics:肉桂酰胺 Cinnamamide, predominantly trans, 97%(621-79-4)
  • 肉桂酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 110360050 肉桂酰胺 Cinnamamide 97%, predominantly trans 5 GR 353元 2010/06/21 110360250 肉桂酰胺 Cinnamamide 97%, predominantly trans 25 GR 1084元 2010/05/25 A13429 肉桂酰胺, predominantly trans, 97% Cinnamamide, predominantly trans, 97% 25g 1120元
  • 用途一:用于有机合成中间体。
  • Alfa Aesar:肉桂酰胺,predominantlytrans,97% Cinnamamide, predominantly trans, 97%(621-79-4)
  • 方法一:由肉桂酸经氯化、酰氨化而得。使用桂酸和二氯亚砜在60-70℃反应3-4h，得粗品，将粗品减压蒸馏得肉桂酰氯。再把肉桂酰氯慢慢加到30℃以下的浓氨水中，在30℃以下搅拌反应1h。放置24h，倒入大量的蒸馏水中，离心甩干、水洗、用稀乙醇重结晶而得成品。
  • MOL 文件:621-79-4.mol
  • MSDS 信息:Cinnamamide(621-79-4).msds
  • 不溶于冷水，微溶于热水，溶于乙醚和二硫化碳。
  • Sigma Aldrich:621-79-4(sigmaaldrich)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Amides - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes
  6. C9

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