(2,6-Difluoro-benzyl)-urea

Base Information

• Chemical Name: (2,6-Difluoro-benzyl)-urea
• CAS No.: 17751-24-5
• Molecular Formula: C8H8 F2 N2 O
• Molecular Weight: 186.161
• Hs Code.: 2924299090
• Mol file: 17751-24-5.mol

Synonyms:Urea,(2,6-difluorobenzyl)- (8CI); Urea, [(2,6-difluorophenyl)methyl]- (9CI)

Chemical Property of (2,6-Difluoro-benzyl)-urea

Chemical Property:

• Vapor Pressure: 0.00481mmHg at 25°C
• Boiling Point: 276.4°Cat760mmHg
• PKA: 12.75±0.46(Predicted)
• Flash Point: 121°C
• PSA: 56.11000
• Density: 1.327g/cm³
• LogP: 2.03780

Purity/Quality:

99%min ^*data from raw suppliers

(2,6-DIFLUORO-BENZYL)UREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (2,6-Difluoro-benzyl)-urea

There total 2 articles about (2,6-Difluoro-benzyl)-urea 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: 79.0%

2,6-difluorobenzylamine (69385-30-4) + urea (57-13-6) → N-(2,6-difluorobenzyl) urea (17751-24-5)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0960-894X(03)00620-6 DOI:10.1021/jm030472z DOI:10.1016/j.bmcl.2004.07.022

Reference yield:

2,6-difluorobenzylamine (69385-30-4) → N-(2,6-difluorobenzyl) urea (17751-24-5)

Guidance literature:

With hydrogenchloride; urea; In water;

Reference yield: 93.0%

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + N-(2,6-difluorobenzyl) urea (17751-24-5) → N-1-(2,6-difluorobenzyl)-6-methyluracil (352303-65-2)

Guidance literature:

With chloro-trimethyl-silane; sodium iodide; In acetonitrile; at 20 ℃; for 20h;

DOI:10.1016/j.bmcl.2004.07.022

upstream raw materials:

2,6-difluorobenzylamine

urea

Downstream raw materials:

N-1-(2,6-difluorobenzyl)-6-methyluracil

1-(2,6-difluorobenzyl)-3-(3-oxobutyryl)urea

5-bromo-1-(2,6-difluoro-benzyl)-6-methyl-1H-pyrimidine-2,4-dione

{(R)-2-[5-bromo-3-(2,6-difluoro-benzyl)-4-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-1-phenyl-ethyl}-carbamic acid tert-butyl ester

Refernces

• 1、 Guo, Zhiqiang,Zhu, Yun-Fei,Gross, Timothy D.,Tucci, Fabio C.,Gao, Yinghong,Moorjani, Manisha,Connors Jr., Patrick J.,Rowbottom, Martin W.,Chen, Yongsheng,Struthers, R. Scott,Xie, Qiu,Saunders, John,Reinhart, Greg,Chen, Ta Kung,Bonneville, Anne L. Killam,Chen, Chen. "Synthesis and Structure-Activity Relationships of 1-Arylmethyl-5-aryl-6-methyluracils as Potent Gonadotropin-Releasing Hormone Receptor Antagonists". . p. 1259 - 1271. Retrieved 2007/10/03.
• 2、 Guo, Zhiqiang,Zhu, Yun-Fei,Tucci, Fabio C.,Gao, Yinghong,Struthers, R. Scott,Saunders, John,Gross, Timothy D.,Xie, Qiu,Reinhart, Greg J.,Chen, Chen. "Synthesis and structure-activity relationships of 1-arylmethyl-3-(2-aminopropyl)-5-aryl-6-methyluracils as potent GnRH receptor antagonists". . p. 3311 - 3315. Retrieved 2007/10/03.