39229-42-0 ((9ci)-甘氨酸苯酯,Glycine, phenyl ester)

快速询单

结构式：

(9ci)-甘氨酸苯酯MOL文件

CAS号：

39229-42-0

中文名称：

(9ci)-甘氨酸苯酯

英文名称：

Glycine, phenyl ester

分子式：

C₈H₉NO₂

分子量：

151.162562131882

(9ci)-甘氨酸苯酯(39229-42-0)名称与标识符

名称

中文别名：

(9ci)-甘氨酸苯酯;

英文别名：

Glycine, phenyl ester;Phenyl aminoacetate;Phenyl glycinate;Phenylglycineester (1CI);BXPNTXBBAVYAMD-UHFFFAOYSA-N;SB76020;SCHEMBL43401;Phenyl2-aminoacetate;phenylglycinate;glycine phenyl ester;o-phenylglycine;Phenyl 2-aminoacetate;39229-42-0;

标识符

InChIKey：

BXPNTXBBAVYAMD-UHFFFAOYSA-N

Inchi：

1S/C8H9NO2/c9-6-8(10)11-7-4-2-1-3-5-7/h1-5H,6,9H2

SMILES：

O(C(CN)=O)C1C=CC=CC=1

(9ci)-甘氨酸苯酯(39229-42-0)物化性质

计算特性

精确分子量 : 151.063328530g/mol
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 3
同位素质量 : 151.063328530g/mol
重原子数量 : 11
复杂度 : 130
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 : 0
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） : 0.6
拓扑分子极性表面积 : 52.3Å²

(9ci)-甘氨酸苯酯(39229-42-0)相关文献

1. Oxone promoted dehydrogenative Povarov cyclization of N-aryl glycine derivatives: an approach towards quinoline fused lactones and lactams
Devidas A. More,Ganesh H. Shinde,Aslam C. Shaikh,M. Muthukrishnan RSC Adv. 2019 9 30277
2. Photocatalyst- and additive-free site-specific C(sp3)–H hydrazination of glycine derivatives and peptides
Guang-Zu Wang,De-Guang Liu,Meng-Ting Liu,Yao Fu Green Chem. 2021 23 5082
3. Application of diphenylphosphinic carboxylic mixed anhydrides to peptide synthesis
Robert Ramage,David Hopton,Maxwell J. Parrott,Reginald S. Richardson,George W. Kenner,Geoffrey A. Moore J. Chem. Soc. Perkin Trans. 1 1985 461
4. Polypeptides. Part XIV. The synthesis of some oligopeptides containing lysine and glutamic acid residues
A. T. Moore,H. N. Rydon,M. J. Smithers J. Chem. Soc. C 1966 2349
5. XY–ZH Systems as potential 1,3-dipoles. Part 8. Pyrrolidines and Δ5-pyrrolines (3,7-diazabicyclo[3.3.0]octenes) from the reaction of imines of α-amino acids and their esters with cyclic dipolarophiles. Mechanism of racemisation of α-amino acids and their esters in the presence of aldehydes
Kitti Amornraksa,Ronald Grigg,H. Q. Nimal Gunaratne,James Kemp,Visuvanathar Sridharan J. Chem. Soc. Perkin Trans. 1 1987 2285
6. Synthesis and antitumor effects of novel benzyl naphthyl sulfoxide/sulfone derivatives derived from Rigosertib
Lin Tang,Tingting Chen,Hongpeng Yang,Xiaoxue Wen,Yunbo Sun,Shuchen Liu,Tao Peng,Shouguo Zhang,Lin Wang RSC Adv. 2021 11 37462
7. Reactive crystallization: a review
Matthew A. McDonald,Hossein Salami,Patrick R. Harris,Colton E. Lagerman,Xiaochuan Yang,Andreas S. Bommarius,Martha A. Grover,Ronald W. Rousseau React. Chem. Eng. 2021 6 364
8. Resolution of esters of phenylglycine with (+)-tartaric acid
John C. Clark,Gordon H. Phillipps,Margaret R. Steer,Leslie Stephenson,A. Roy Cooksey J. Chem. Soc. Perkin Trans. 1 1976 471
9. A new asymmetric transformation of α-amino-acid esters with (+)-tartaric acid
John C. Clark,Gordon H. Phillipps,Margaret R. Steer J. Chem. Soc. Perkin Trans. 1 1976 475
10. AuCl3 catalyzed [3 + 2 + 1] cycloaddition: first use of aldehyde as a carbon monoxide-like one carbon synthon for triple C–C coupling
Krishnanka S. Gayen,Dilip K. Maiti RSC Adv. 2014 4 10204