(S)-(-)-Alpha-Methylbenzylamine (S)-(-)-1-苯基乙胺

CAS 2627-86-3 MFCD00064406

化学结构图

2627-86-3
SMILES: C[C@H](N)c1ccccc1

化学属性

Mol. FormulaC8H11N
Mol. Weight121.18
Density0.95
Refractive index1.5250 to 1.5280
Flash Point79°C(lit.)
TSCAYes
Boiling Point187 °C at 760 mmHg
Melting Point-10 °C
Vapor Pressure0.5 mmHg ( 20 °C)
Solubility略溶于水

别名和识别编码

Chemical Name(S)-(-)-Alpha-Methylbenzylamine
CAS Number2627-86-3
Alfabeta NamePHENYLETHYLAMINE S1(())----
MDL NumberMFCD00064406
Synonym (S)-(-)-1-Phenylethanamine {LY} (S)-(-)-1-Phenylethanamine {} {LY} (S)-(-)-1-Phenylethanamine {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (S)-(-)-1-Phenylethanamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (S)-1-Phenylethanamine {} {} {} {} {} {} {} {} {
EC Number220-098-0
Beilstein Registry Number12,1093
Merck Number14,6026
PubChem Substance ID75818
Reaxys-RN3648466
Chemical Name Translation(S)-(-)-1-苯基乙胺
LabNetwork Molecule IDLN00179043
InChIInChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
Canonical SMILESN[C@@H](C)C1=CC=CC=C1
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分类

  • {SNA} Amines, Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Organic Building Blocks
  • Chiral Reagents
  • {SNA} Analytical Reagents, Analytical/Chromatography, Chiral, Chiral Derivatization Reagents, Chiral GC Derivatization Reagents, Derivatization Reagents, Derivatization Reagents HPLC
  • Amines
  • {SNA} Amines, Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Chiral Resolution Reagents, Chiral Resolving Reagents, Organic Building Blocks
  • Aromatics

产品应用

  • Used in a one-pot, multi-component synthesis of a highly substituted, chiral pyrrole

相关文献及参考

  • For use as a chiral auxiliary in the asymmetric synthesis of (R)-(-)-10-methyl-1(9)-octal-2-one, see: Org. Synth. Coll., 9, 610 (1998):
  • Merck: 13,6054 Beilstein:12,1093
  • Merck: 13,6054

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • 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;
  • 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;
  • 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);
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
Risk Statements
  • R34 Causes burns 会导致灼伤
  • R35 Causes severe burns 会导致严重灼伤
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • 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。
  • 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。
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P308+P313
  • P303+P361+P353
  • P370+P378
  • P304+P340
  • 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。
  • P304+P340+P310
  • P403+P235
  • P301+P330+P331
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P303+P361+P353+P310+P363
Packing GroupII
UN Number 2735 UN2735 UN 2922 8/PG 2 2922
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
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C C,Xi
RTECSDP5775000
Hazard Class8/6.1

其他信息

  • MSDS 信息:L(-)-alpha-Methylbenzylamine(2627-86-3).msds
  • 上游原料:氢氧化钠 --> 甲醇 --> 乙醚 --> 左旋酒石酸 --> alpha-甲基苄胺
  • 比旋光度:-40 ° (neat)
  • 海关编码:29214980
  • 敏感性:Air Sensitive
  • S-1-苯乙胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0793 (S)-(-)-1-苯乙胺 (S)-(-)-1-Phenylethylamine 25ML 424元 2014/06/02 P0793 (S)-(-)-1-苯乙胺 (S)-(-)-1-Phenylethylamine 500ML 3140元 2010/06/21 151831000 S-1-苯乙胺 L(-)-alpha-Methylbenzylamine , 99+%, (99% ee) 100 GR 1555元
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 苯乙胺 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • Alfa Aesar:(S)-(-)-1-苯基乙胺,ChiPros99+%,ee99.5% (S)-(-)-1-Phenylethylamine, ChiPros 99+%, ee 99.5%(2627-86-3)
  • 下游产品:(R)-(+)-叔丁基亚磺酰胺 --> (S)-(-)-2-羧基环丁胺 --> R-1,1'-联-2-萘酚 --> R-3-氨基奎宁环二盐酸盐 --> S-1,1'-联-2-萘酚 --> (R)-(+)-降冰片胺 --> S-氰戊菊酯 --> (S,S)-(-)-双(Α-甲基苄基)胺盐酸盐 --> (S)-(-)-N-苄基-alpha-甲基苄胺 --> (S,S)-双-(1-苯基乙基)胺 --> (R)-(+)-N-苄基-1-苯乙胺
  • MOL 文件:2627-86-3.mol
  • Sigma Aldrich:2627-86-3(sigmaaldrich)
  • F:3-10-23-34
  • 蒸气压:0.5 mm Hg ( 20 °C)
  • 图谱信息:S-1-苯乙胺(2627-86-3)红外图谱(IR2) S-1-苯乙胺(2627-86-3)红外图谱(IR1) S-1-苯乙胺(2627-86-3)质谱(MS) S-1-苯乙胺(2627-86-3)Raman光谱 S-1-苯乙胺(2627-86-3)核磁图( 1 HNMR) S-1-苯乙胺(2627-86-3)核磁图( 13 CNMR)
  • Hazard Note:Irritant
  • 微溶于水,溶于大多数有机溶剂,和醇及醚混溶。
  • Acros Organics:L(-)-alpha-甲基苄胺 L(-)-alpha-Methylbenzylamine, 99+%, (99% ee)(2627-86-3)
  • TCI Shanghai:(S)-(-)-1-苯基乙胺 (S)-(-)-1-Phenylethylamine,>;98.0%(GC)(2627-86-3)
  • 存储注意事项:空气敏感

系列性分类


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