938-97-6 (对羟基苯甘氨酸,4-Hydroxyphenylglycine)

CAS号:
938-97-6
中文名称:
对羟基苯甘氨酸
英文名称:
4-Hydroxyphenylglycine
分子式:
C8H9NO3
分子量:
167.161962270737
简介:
2-Amino-2-(4-hydroxyphenyl)acetic acid 是一种甘氨酸衍生物。

对羟基苯甘氨酸(938-97-6)名称与标识符

名称

中文别名:
对羟基苯甘氨酸;2-氨基-2-(4-羟苯基)乙酸;4-羟基苯甘氨酸;4-羟基苯基甘氨酸;N-(对羟基苯基)甘氨酸;对羟基苯氨基乙酸;对羟基苯胺基乙酸;2-氨基-2-(4-羟基苯基)乙酸;DL-对羟基苯甘氨酸;α-对羟基苯甘氨酸;
英文别名:
2-Amino-2-(4-hydroxyphenyl)acetic acid;AMINO-(4-HYDROXY-PHENYL)-ACETIC ACID;4-HYDROXY-DL-PHENYLGLYCINE;4-hydroxyphenylglycine;Amino-4-hydroxybenzeneacetic acid;DL-4-OH-Phg-OH;(4-Hydroxyphenyl)(amino)acetic acid;(4-Hydroxyphenyl)glycine;2-(4-Hydroxyphenyl)glycine;DL-4-HYDROXYPHENYLGLYCINE;P-HYDROXY PHENYLGLYCINE;Glycine,2-(p-hydroxyphenyl)- (6CI,7CI,8CI);(RS)-2-(4-Hydroxyphenyl)glycine;(?à)-2-(4-Hydroxyphenyl)glycine;(?à)-2-(p-Hydroxyphenyl)glycine;(?à)-Amino(p-hydroxyphenyl)aceticacid;(?à)-p-Hydroxyphenylglycine;(?à)-a-Amino-4-hydroxybenzeneacetic acid;DL-2-(4-Hydroxyphenyl)glycine;DL-2-(p-Hydroxyphenyl)glycine;DL-p-Hydroxyphenylglycine;DL-a-Amino(4-hydroxyphenyl)acetic acid;NSC 30081;a-(4-Hydroxyphenyl)glycine;a-(p-Hydroxyphenyl)glycine;a-Amino-p-hydroxyphenylacetic acid;Amino(4-hydroxyphenyl)acetic acid;alpha-Amino-4-hydroxybenzeneacetic acid;(1)-4-Hydroxyphenylglycine;(+/-)-alpha-Amino-4-hydroxybenzeneacetic acid;LJCWONGJFPCTTL-UHFFFAOYSA-N;D-(-)-p-Hydroxyphenylglycine;D-P-HYDROXYPHENYLGLYCINE;UK 25842;para-hydroxyphenylglycine;Glycine, 2-(p-hydroxyphenyl)- (6CI, 7CI, 8CI);α-Amino-4-hydroxybenzeneacetic acid (ACI);(±)-2-(4-Hydroxyphenyl)glycine;(±)-2-(p-Hydroxyphenyl)glycine;(±)-Amino(p-hydroxyphenyl)acetic acid;(±)-p-Hydroxyphenylglycine;(±)-α-Amino-4-hydroxybenzeneacetic acid;2-Amino-2-(4-hydroxyphenyl)aceticacid;DL;DL-α-Amino(4-hydroxyphenyl)acetic acid;p-Hydroxyphenylglycine;α-(4-Hydroxyphenyl)glycine;α-(p-Hydroxyphenyl)glycine;α-Amino-4-hydroxyphenylacetic acid;α-Amino-p-hydroxyphenylacetic acid;J-507748;(R)-(4-Hydroxyphenyl)glycine; (R)-2-(4-Hydroxyphenyl)glycine; 4-Hydroxy-D-phenylglycine; D-(-)-2-(4-Hydroxyphenyl)glycine; D-(-)-2-(p-Hydroxyphenyl)glycine;MFCD00065931;938-97-6;Q27093571;NS00081113;MFCD00065932;CHEBI:50418;2-amino-2-(4-hydroxyphenyl)-acetic acid;FT-0630187;SY032272;FB-0735;AB00341;Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.S)-;amino(4-hydroxyphenyl)ethanoic acid;FT-0633158;PB47674;1217854-79-9;AKOS000168314;L(+)4-Phydroxyphenylglycine;EINECS 213-353-2;W-109619;EN300-137921;Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)-;SR-01000944901-1;Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (R)-;DB02601;(-)-alpha-amino-4-hydroxybenzeneacetic acid;Amino(4-hydroxyphenyl)acetic acid #;2-amino-2-(4-hydroxyphenyl) acetic acid;UNII-7UYG7X0F53;SY036146;AKOS016050648;Benzeneacetic acid, a-amino-4-hydroxy-;37784-25-1;6324-01-2;HY-W005226;D-2-(4-Hydroxyphenyl)glycine;(alphaR)-alpha-Amino-4-hydroxybenzeneacetic acid;(+/-)-.ALPHA.-AMINO-4-HYDROXYBENZENEACETIC ACID;D-26;AB02671;NSC30081;FT-0669964;SR-01000944901;CHEMBL130865;SCHEMBL652186;FT-0624334;EINECS 228-682-7;7UYG7X0F53;F11089;DTXSID90860473;SY047013;2-p-hydroxyphenylglycine;(R)-.alpha.-Amino-4-hydroxybenzeneacetic acid;D-(-)-4-Hydroxyphenyl-d4-glycine;NSC-30081;CS-W005226;NCGC00164509-01;A844731;(R)-(-)-2-(4-Hydroxyphenyl)glycine;STK391435;DB-014148;BRD-A86525947-001-01-4;BBL014416;

标识符

MDL:
MFCD00065931
InChIKey:
LJCWONGJFPCTTL-UHFFFAOYSA-N
Inchi:
1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
SMILES:
O=C(C(C1C=CC(O)=CC=1)N)O

对羟基苯甘氨酸(938-97-6)物化性质

实验特性

  • LogP : 0.96170
  • PSA : 69.56000
  • 折射率 : 1.54
  • 沸点 : 446.3℃ at 760 mmHg
  • 熔点 : 235-238°C
  • 闪点 : 223.7ºC
  • 比旋光度 : -158.4° (c=1, 1mol/L HCl)
  • 密度 : 1.41

计算特性

  • 精确分子量 : 167.05800
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 167.058
  • 重原子数量 : 12
  • 复杂度 : 164
  • 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) : -2.1
  • 拓扑分子极性表面积 : 83.6

对羟基苯甘氨酸(938-97-6)国际标准相关数据

EINECS:
213-353-2

对羟基苯甘氨酸(938-97-6)海关数据

海关编码:
2922501000
海关数据:

中国海关编码:

2922509090

概述:

2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary:

2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

对羟基苯甘氨酸(938-97-6)生产方法和用途

用途:
羟氨苄青霉素、头孢哌酮等β-内酰胺类抗生素的中间体(用D型)。
生产方法:
用对甲氧基苯甲醛在乙醇中与氰化钠、碳酸氢铵反应,生成对甲氧基苯海因,然后以****溶液水解,得到对甲氧基苯甘氨酸,后者以溴氢酸水解制得该品。

对羟基苯甘氨酸(938-97-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Asymmetric resolution of D-p-hydroxyphenylglycine
Yang, Fan; Zhang, Zhenglin; Zou, Jianzhong, Zhongguo Yiyao Gongye Zazhi, 2005, 36(4), 199-200
合成路线:1 步
反应条件:
参考文献:
Process for preparation of D,L-phenylglycine derivatives
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Deprotection of 4-methoxybenzyloxycarbonyl group with p-toluenesulfonic acid in acetonitrile. Application to a large-scale preparation of 7-[D-2-amino-2-(4-hydroxyphenyl)acetamido]cephalosporanic acid
Yamada, Hirotada; Tobiki, Hisao; Tanno, Norihiko; Suzuki, Hiroyuki; Jimpo, Kiyokazu; et al, Bulletin of the Chemical Society of Japan, 1984, 57(11), 3333-4
合成路线:1 步
参考文献:
Synthesis of DL-2-(p-hydroxyphenyl)glycine by the ammonolysis of p-hydroxymandelic acid obtained by the condensation of phenol with glyoxylic acid
Powar, Netaji P.; Chandalia, Sampatraj B., Journal of Chemical Technology and Biotechnology, 1989, 46(3), 219-32
合成路线:1 步
反应条件:
参考文献:
Synthesis of p-hydroxyphenylglycine
Liu, Changchun, Huagong Shikan, 2001, 15(9), 25-27
合成路线:1 步
反应条件:
参考文献:
p-Hydroxyphenylglycine or an N-alkyl or an N,N-dialkyl derivative
, Netherlands, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of DL-4-hydroxyphenylglycine in pulse tube reactor
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Method for synthesizing p-hydroxyphenylglycine
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Process for preparation of 4-hydroxyphenylglycine
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Study on synthesis of DL-p-hydroxyphenylglycine
Zhang, Jing; Tu, Wei-ping, Yingyong Huagong, 2003, 32(5), 46-48
合成路线:1 步
反应条件:
参考文献:
Method for preparation of p-hydroxyphenylglycine
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Solid acid catalyst and preparation method thereof and preparation method of para-hydroxyphenylglycine
, China, , ,
合成路线:1 步
反应条件:
参考文献:
An in-depth mechanistic study of the p-hydroxyphenylglycine synthetic process using in situ ATR-IR spectroscopy
Mao, Hai-Fang; Xing, Hui-Min; Jin, Miao-Miao; Liu, Ji-Bo; Yao, Yue-Liang; et al, Analytical Methods, 2022, 14(29), 2833-2840
合成路线:1 步
反应条件:
参考文献:
Study on synthesis of DL-p-hydroxyphenylglycine
Pei, Lei; Liu, Fusheng; Yu, Shitao, Jingxi Shiyou Huagong Jinzhan, 2007, 8(11), 20-23
合成路线:1 步
反应条件:
参考文献:
Novel method of preparing hydroxyarylglycines, alkoxyarylglycines and the glycinates thereof, from aromatic aldehydes and benzylamine
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Process for preparation of DL-p-hydroxyphenylglycine
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Production method and device of D,L-p-hydroxyphenylglycine by adopting staged temperature control of multi-stage tubular reactor, continuous neutralization and kettle-type reactor
, China, , ,
合成路线:1 步
反应条件:
参考文献:
The preparation of D-4-hydroxyphenylglycine
Zhang, Da-shuai; Mu, Shuai; Niu, Duan; Liu, Ying; Wang, Ping-bao; et al, Jingxi Huagong Zhongjianti, 2013, 43(2), 33-36
合成路线:1 步
反应条件:
参考文献:
Process for preparing an alpha-amino acid, the corresponding ester and amide
, European Patent Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Process for preparation of DL-4-hydroxyphenylglycine
, China, , ,