4-TETRAZOL-1-YL-PHENOL

Base Information

• Chemical Name: 4-TETRAZOL-1-YL-PHENOL
• CAS No.: 64001-11-2
• Molecular Formula: C7H6 N4 O
• Molecular Weight: 162.151
• Hs Code.: 2933990090
• Mol file: 64001-11-2.mol

Synonyms:4-(1H-Tetrazol-1-yl)phenol

Chemical Property of 4-TETRAZOL-1-YL-PHENOL

Chemical Property:

• Vapor Pressure: 5.3E-06mmHg at 25°C
• Boiling Point: 370.2°Cat760mmHg
• PKA: 8.68±0.13(Predicted)
• Flash Point: 177.7°C
• PSA: 63.83000
• Density: 1.46g/cm³
• LogP: 0.36790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

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

4-Tetrazol-1-yl-phenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-TETRAZOL-1-YL-PHENOL

There total 9 articles about 4-TETRAZOL-1-YL-PHENOL 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: 97.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + orthoformic acid triethyl ester (122-51-0) → 1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazole (64001-11-2)

Guidance literature:

With sodium tetrahydroborate; sodium azide; In water; for 2.16667h; Reflux;

DOI:10.1016/j.mcat.2020.111311

Reference yield: 96.0%

4-amino-phenol (123-30-8) + orthoformic acid triethyl ester (122-51-0) → 1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazole (64001-11-2)

Guidance literature:

With acetic acid; at 100 ℃; for 0.0833333h;

DOI:10.1007/s13738-013-0279-4

Reference yield: 88.0%

4-amino-phenol (123-30-8) + trimethyl orthoformate (149-73-5) → 1-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazole (64001-11-2)

Guidance literature:

With sodium azide; acetic acid; at 20 - 100 ℃; Product distribution / selectivity;

upstream raw materials:

4-amino-phenol

trimethyl orthoformate

orthoformic acid triethyl ester

4-Fluoronitrobenzene

Downstream raw materials:

5-ethyl-2-{4-[4-({[4-(1H-tetrazol-1-yl)phenyl]oxy}methyl)-1,3-thiazol-2-yl]-1-piperidinyl}pyrimidine

4-[4-(4-tetrazol-1-yl-phenoxymethyl)thiazol-2-yl]piperidine hydrochloride

4-[4-(4-tetrazol-1-ylphenoxymethyl)thiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester

benzyl 4-(4-((4-(1H-tetrazol-1-yl)phenoxy)methyl)thiazol-2-yl)cyclohexylcarbamate

Refernces

• 1、 Xu, DaPeng,Xiong, Meilu,Kazemnejadi, Milad. "Efficient reduction of nitro compounds and domino preparation of 1-substituted-1H-1,2,3,4-tetrazoles by Pd(ii)-polysalophen coated magnetite NPs as a robust versatile nanocomposite". . p. 12484 - 12499. Retrieved 2021/04/14.
• 2、 Zuo, Zeping,Chen, Miaomiao,Shao, Xiaoni,Qian, Xinying,Liu, Xiaocong,Zhou, Xia,Xiang, Jiawei,Deng, Pengchi,Li, Yan,Jie, Hui,Liu, Chunqi,Cen, Xiaobo,Xie, Yongmei,Zhao, Yinglan. "Design and biological evaluation of tetrahydropyridine derivatives as novel human GPR119 agonists". supporting information. . Retrieved 2020/01/08.