2-((4-Fluorophenyl)amino)acetic acid

Base Information

• Chemical Name: 2-((4-Fluorophenyl)amino)acetic acid
• CAS No.: 351-95-1
• Molecular Formula: C8H8 F N O2
• Molecular Weight: 169.155
• Hs Code.: 2922499990
• European Community (EC) Number: 662-028-5
• DSSTox Substance ID: DTXSID60360672
• Nikkaji Number: J2.269.963F
• Wikidata: Q72475980
• Mol file: 351-95-1.mol

Synonyms:351-95-1;2-((4-Fluorophenyl)amino)acetic acid;N-(4-fluorophenyl)glycine;(4-Fluoro-phenylamino)-acetic acid;2-(4-fluoroanilino)acetic acid;2-[(4-fluorophenyl)amino]acetic Acid;(4-fluoroanilino)acetic acid;(4-fluorophenylamino)acetic acid;4-fluorophenyglycine;2-((4-Fluorophenyl)amino)aceticacid;SCHEMBL186867;DTXSID60360672;ZFIMCCCQJDZLCT-UHFFFAOYSA-N;CS1182;MFCD02255629;STL411941;AKOS000101435;AM82675;AS-10888;CS-0118637;F0960;EN300-144348;N-(4-Fluorophenyl)glycine (Ph(4-F)-Gly-OH);A874724

Chemical Property of 2-((4-Fluorophenyl)amino)acetic acid

Chemical Property:

• Melting Point: 138°C(lit.)
• Boiling Point: 355.9±27.0 °C(Predicted)
• PKA: 4.58±0.20(Predicted)
• PSA: 49.33000
• Density: 1.361
• LogP: 1.39520
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.05390666
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Fluorophenyl)glycine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1NCC(=O)O)F

Technology Process of 2-((4-Fluorophenyl)amino)acetic acid

There total 11 articles about 2-((4-Fluorophenyl)amino)acetic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

p-fluorophenylglycine amide (85098-68-6) + butan-1-ol (71-36-3) → N-(4-fluoro-phenyl)-glycine (351-95-1)

Guidance literature:

Reference yield: 89.4%

2-(4-fluorophenylamino)acetic acid ethyl ester (2521-99-5) → N-(4-fluoro-phenyl)-glycine (351-95-1)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1039/c9cc02882j

Reference yield:

4-fluorobenzaldehyde (459-57-4) → N-(4-fluoro-phenyl)-glycine (351-95-1)

Guidance literature:

With potassium hydroxide; ammonium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; lithium chloride; In diethyl ether; ethanol; dichloromethane; chloroform; ammonia; water;

upstream raw materials:

chloroacetic acid

4-fluoroaniline

p-fluorophenylglycine amide

butan-1-ol

Downstream raw materials:

N-[N-(3,5-difluorophenylacetyl)-L-alaninyl]-2-amino-2-(4-fluorophenyl)acetate ethyl ester

N-(4-fluoro-phenyl)-N-nitroso-glycine

3-(4-fluorophenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate

C₈H₄FIN₂O₂

Refernces

• 1、 Zheng, Yuanqin,Zhou, Yuqiao,Zhang, Yan,Deng, Pengchi,Zhao, Xiaohu,Jiang, Shichao,Du, Guangxi,Shen, Xin,Xie, Xinyu,Su, Zhishan,Yu, Zhipeng. "Water-Involved Ring-Opening of 4-Phenyl-1,2,4-triazoline-3,5-dione for “Photo-Clicked” Access to Carbamoyl Formazan Photoswitches In Situ". supporting information. . Retrieved 2021/12/22.
• 2、 Zhang, Xiaocui,Wu, Xueting,Jiang, Shichao,Gao, Jingshuo,Yao, Zhuojun,Deng, Jiajie,Zhang, Linmeng,Yu, Zhipeng. "Photo-accelerated "click" reaction between diarylsydnones and ring-strained alkynes for bioorthogonal ligation". . p. 7187 - 7190. Retrieved 2019/07/02.