618-36-0 (α-苯乙胺,1-phenylethan-1-amine)

α-苯乙胺(618-36-0)名称与标识符

名称

中文别名:
α-苯乙胺;DL-α-甲基苄胺;DL-苯乙胺;()-1-苯乙胺;DL-1-苯乙胺 ;(±)-a-甲基苯甲胺;alpha-甲基苄胺;alpha-甲基苄胺,DL-alpha-Methylbenzylamine;DL-1-Phenylethylamine DL-1-苯乙胺;DL-alpha-苯乙胺;DL-alpha-甲基苄胺;DL-α-苯乙胺;DL-а苯乙胺;Α-苯乙胺 (DL-苯乙胺);α-甲基苄胺;β-苯乙胺;阿司帕坦;(±)-α-甲基苯甲胺;DL-α-苯基乙胺;苯乙胺;(±)-α-甲基苄胺;(±)-1-苯乙胺;DL-α-甲基苯甲胺;DL-a-甲基苄胺(DL-a-苯乙胺);
英文别名:
1-Phenylethanamine;1-phenylethylamine;alpha-Methylbenzylamine;1-Phenethylamine;1-Amino-1-phenylethane;1-Fenylethylamin;Benzene, (1-amino-ethyl)-;Benzenemethanamine, alpha-methyl-;DL-1-Phenylethylamine;alpha-Phenyl Ethylamine;(+/-)-1-Phenylethylamine;DL-alpha-Phenylethylamine;dl-PEA;(+/-) Alpha-Methylbenzylamine;α-phenylethylamine;DL-phenylethylamine;(R,S)-(+/-)-1-Phenylethylamine;(±)-1-Phenylethylamine;DL-alpha-Methylbenzylamine;.alpha.-Methylbenzylamine;1-Phenylethan-1-amine;dl-a-Methylbenzylamine;DL-α-Methylbenzylamine;α-Methylbenzylamine;Benzenemethanamine, α-methyl-;DL-α-Methylbenzylami;DL-α-Phenylethylamine;(+/-)-PEA;alpha-Phenylethylamine;alpha-Aminoethylbenzene;alpha-Methylbenzenemethanamine;a-methylbenzylamine;alpha-Phenethylamine;a-phenylethylamine;1-Phenyl-ethylamine;Benzenemethanamine, .alpha.-methyl-;Sumine 2079;Ethanamine, 1-phenyl-;Ethylamine, 1-phenyl-;a-methylbenzenemethanamine;(+/-)-1-Phenylet;N-FMOC-AMINO-4-KETOCYCLOHEXYLCARBOXYLICACID;Benzylamine, .alpha.-methyl-, (.+/-.)-;AS-80972;1-PHENETHYLAMINE [HSDB];a-aminoethylbenzene;(1-Aminoethyl)benzene;DL-;NSC-8391;alpha-methyl-benzylamine;(RS)-alpha-methylbenzylamine;DL-1-phenethylamine;FT-0604486;CS-W013564;F0798-0597;Benzenemethanamine, .alpha.-methyl-, (.+/-.)-;(-)-1-phenylethylamine;alpha-methylbenzyl amine;(+)1-phenylethan-1-amine;C02455;(+)-alpha-methylbenzylamine;.alpha.-Phenethylamine;(-)-alpha-methyl-benzylamine;(S)-(-)-.alpha.-Methylbenzylamine;L(-)-.alpha.-Methylbenzylamine;Benzenemethaneamine, alpha-methyl-;(+/-)-1-phenyl-ethanamine;1-Phenylethanamine #;EINECS 202-706-6;M0165;.alpha.-Phenylethylamine;PS-4601;(+)-alpha-methyl benzyl amine;L-(-)-.alpha.-Phenylethylamine;dl-1-phenylethyl amine;EINECS 210-545-8;(-)-alpha-methylbenzylamine;alpha-Methylbenzylamine, 99%;Timepidiumbromide;FT-0601072;618-36-0;Z57102377;alpha-methyl benzylamine;1-phenyl-ethyl-amine;l-phenylethylamine;racemic 1-phenylethylamine;1-Phenyl ethylamine;NS00001808;AI3-03116;(+)-1-phenylethylamine;racemic alpha-methylbenzylamine;1-Fenylethylamin [Czech];(1-phenylethyl)amine;W-105090;98-84-0;DL-a-methylbenzyla;rac-1-phenylethanamine;(S)-.alpha.-Methylbenzenemethanamine;D77753;SCHEMBL4701869;alpha-methylbezylamine;1(r,s)-phenylethylamine;BDBM50023171;racemic alpha-methyl-benzenemethanamine;(RS)-.ALPHA.-METHYLBENZYLAMINE;Benzenemethanamine, .alpha.-methyl-, (R)-;NSC8391;WLN: 1M1R;(-)-alpha-methylbenzenemethanamine;(S)-(-)-a-methyl-benzylamine;.ALPHA.-METHYLBENZYLAMINE [MI];NSC 8391;(-) alpha-methyl-benzylamine;CHEBI:670;(-)alpha-phenylethylamine;(+/-)-.ALPHA.-PHENYLETHYLAMINE;.ALPHA.-AMINOETHYLBENZENE;EC 210-545-8;1-phenylethyl amine;DL-.ALPHA.-METHYLBENZYLAMINE;.ALPHA.-METHYLBENZENEMETHANAMINE;AM20060838;MFCD00008069;(R,S)-.ALPHA. METHYLBENZYLAMINE;(rs)-1-phenylethylamine;(-)-.alpha.-Phenethylamine;1-Phenyl-1-ethanamine;(+)-alpha-methyl-benzylamine;a-phenethylamine;(-)-alpha-phenylethylamine;CHEMBL278059;UNII-HZ9DM6B2MT;(+) alpha-methylbenzylamine;(R)-.alpha.-Methylbenzenemethanamine;BENZYLAMINE, .ALPHA.-METHYL-, DL-;(S)-1-phenylethanamine;(1S)-1-phenylethanamine;A-Methylbenzylamine DL-;DTXSID40862301;(+/-)-.ALPHA.-PHENETHYLAMINE;FT-0658781;HSDB 2742;AKOS016039387;Benzylamine, alpha-methyl-;(S)-alpha-methyl benzylamine;AKOS000119070;SCHEMBL830;(+/-)-alpha-Methylbenzylamine;(-) alpha methyl benzyl amine;(+/-)- alpha -Methylbenzylamine;racemic 1-phenylethanamine;BCP32849;(+/-)-1-phenylethanamine;Q3560549;EN300-17925;Benzenemethanamine, .alpha.-methyl-, (S)-;(+/-)-1-(phenyl)ethylamine;Benzylamine, .alpha.-methyl-;HZ9DM6B2MT;alpha-methyl benzyl amine;(+/-)-1-Phenyl-ethylamine;phenylethan-1-amine;Benzenemethaneamine, .alpha.-methyl-;DB-015888;Benzenemethanamine, a-methyl-;Benzenemethanamine, a-methyl-; 1-Phenylethanamine; a-Phenylethylamine;STK397443;(+/-)-?-METHYLBENZYLAMINE;benzene, (1-aminoethyl)-;DB-054000;D-alpha-Phenylethylamine; R-(+)-alpha-Methylbenzylamine; D(+)-alpha-Methylbenzylamine; (+)-PEA; (R)-(+)-1-Phenylethylamine;ALBB-032928;Benzylamine, alphamethyl;Ethanamine, 1phenyl;1Phenylethanamine;1Fenylethylamin;(R,S)-ALPHA METHYLBENZYLAMINE;alphaAminoethylbenzene;alphaMethylbenzenemethanamine;alphaPhenylethylamine;Benzene, (1aminoethyl);Benzenemethanamine, alpha-methyl-, (S)-;alphaPhenethylamine;Benzenemethanamine, alphamethyl;202-706-6;Benzenemethanamine, alpha-methyl-, (R)-;Benzenemethaneamine, alphamethyl;Ethylamine, 1phenyl;FP11135;1Phenylethylamine;1Amino1phenylethane;(+/-)-alpha-Phenylethylamine;(+/-)-ALPHA-PHENETHYLAMINE;

标识符

MDL:
MFCD00008069
InChIKey:
RQEUFEKYXDPUSK-UHFFFAOYSA-N
Inchi:
1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
SMILES:
NC(C)C1C=CC=CC=1
BRN:
636127

α-苯乙胺(618-36-0)物化性质

实验特性

  • LogP : 1.49
  • PSA : 26.02
  • Merck : 6026
  • 折射率 : n20/D 1.526(lit.)
  • 水溶性 : 4.2 g/100 mL (20 ºC)
  • 沸点 : 185°C(lit.)
  • 熔点 : -65 ºC
  • 闪点 : 华氏:158 °F
    摄氏:70 °C
  • 溶解度 : 42g/l
  • 颜色与性状 : 未确定。
  • 稳定性 : Stable, but absorbs carbon dioxide from the air. Store under an inert atmosphere. Incompatible with strong oxidizing agents, carbon dioxide.
  • 溶解性 : 未确定
  • 敏感性 : Air Sensitive
  • 密度 : 0.94 g/mL at 25 °C(lit.)

计算特性

  • 精确分子量 : 121.08923
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 1
  • 同位素质量 : 121.089149
  • 重原子数量 : 9
  • 复杂度 : 74.6
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26

α-苯乙胺(618-36-0)安全信息

α-苯乙胺(618-36-0)国际标准相关数据

EINECS:
210-545-8

α-苯乙胺(618-36-0)海关数据

海关编码:
29214980

α-苯乙胺(618-36-0)生产方法和用途

方法:
以苯乙酮为原料,与甲酸铵反应生成1-苯基乙基甲酰胺,经盐酸水解得到1-苯基乙胺盐酸盐,然后用****溶液碱化得到外消旋型1-苯基乙胺。另一种制法是苯乙酮和氨在阮内镍催化下高压加氢还原,制得DL-1-苯基乙胺。催化反应的温度为150℃,压力为34.5-24MPa。
用途:
用作医药中间体、拆分剂
用作医药、染料、香料、乳化剂等的中间体。

α-苯乙胺(618-36-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Efficient C-N formation for preparing α-branched primary amines by recycled intramolecular reactions of 1,8-naphthosultone using ammonia as nitrogen source
Zhou, Xinrui; et al, Chinese Journal of Chemical Engineering, 2014, 22(4), 405-410
合成路线:2 步
反应条件:
参考文献:
Efficient C-N formation for preparing α-branched primary amines by recycled intramolecular reactions of 1,8-naphthosultone using ammonia as nitrogen source
Zhou, Xinrui; et al, Chinese Journal of Chemical Engineering, 2014, 22(4), 405-410
合成路线:3 步
反应条件:
参考文献:
Efficient C-N formation for preparing α-branched primary amines by recycled intramolecular reactions of 1,8-naphthosultone using ammonia as nitrogen source
Zhou, Xinrui; et al, Chinese Journal of Chemical Engineering, 2014, 22(4), 405-410
合成路线:4 步
反应条件:
参考文献:
Efficient C-N formation for preparing α-branched primary amines by recycled intramolecular reactions of 1,8-naphthosultone using ammonia as nitrogen source
Zhou, Xinrui; et al, Chinese Journal of Chemical Engineering, 2014, 22(4), 405-410

α-苯乙胺(618-36-0)参考资料

Reaxys RN:
636127
Beilstein:
12,1094
PubChem CID: