1-(Difluoromethyl)-3-nitro-benzene

Base Information

• Chemical Name: 1-(Difluoromethyl)-3-nitro-benzene
• CAS No.: 403-25-8
• Molecular Formula: C7H5F2NO2
• Molecular Weight: 173.119
• Hs Code.: 2904909090
• Mol file: 403-25-8.mol

Synonyms:1-Nitro-3-(difluoromethyl)benzene;2,2-Difluor-3-nitro-toluol;Alpha,Alpha-Difluoro-3-nitrotoluene;1-difluoromethyl-3-nitro-benzene;1-Difluormethyl-3-nitro-benzol;3-(difluoromethyl)nitrobenzene;

Chemical Property of 1-(Difluoromethyl)-3-nitro-benzene

Chemical Property:

• PSA: 45.82000
• LogP: 3.05560
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

α,α-Difluoro-3-nitrotoluene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(Difluoromethyl)-3-nitro-benzene is an intermediate for the preparation of N2-Phenylguanine derivatives as Inhibitors of Herpes Simplex Virus Thymidine Kinases, useful as a potential treatment for recurrent virus infections. α,α-Difluoro-3-nitrotoluene, is an intermediate for the preparation of N2-Phenylguanine derivatives as Inhibitors of Herpes Simplex Virus Thymidine Kinases, useful as a potential treatment for recurrent virus infections.

Technology Process of 1-(Difluoromethyl)-3-nitro-benzene

There total 7 articles about 1-(Difluoromethyl)-3-nitro-benzene 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: 99.0%

3-nitro-benzaldehyde (99-61-6) → 1-(difluoromethyl)-3-nitrobenzene (403-25-8)

Guidance literature:

With diethylamino-sulfur trifluoride; In dichloromethane; at -78 - 20 ℃;

Reference yield: 66.0%

difluoromethyl copper + 3-nitro-aniline (99-09-2) → 1-(difluoromethyl)-3-nitrobenzene (403-25-8)

Guidance literature:

3-nitro-aniline; With tetrafluoroboric acid; tert.-butylnitrite; In ethanol; water; at 0 - 20 ℃; for 1h; Inert atmosphere;

difluoromethyl copper; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol5030037

Reference yield: 63.0%

3-nitrobenzaldehyde hydrazone (3718-22-7) → 1-(difluoromethyl)-3-nitrobenzene (403-25-8)

Guidance literature:

With titanium(III) fluoride; 4-(difluoroiodo)toluene; In dichloromethane; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201700393

upstream raw materials:

m-nitrobenzylidene chloride

3-nitro-benzaldehyde

3-nitro-aniline

3-nitrophenyldiazonium tetrafluoroborate

Downstream raw materials:

1-{5-[3-(difluoromethyl)-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl]-1,3-thiazol-2-yl}cyclobutanol

N-[3-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-bromo-5-(difluoromethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

3-bromo-5-(difluoromethyl)aniline

Refernces

• 1、 -. "NOVEL INHIBITORS OF MAP4K1". Page/Page column 116. . Retrieved 2018/12/13.
• 2、 Zhao, Zhensheng,Kulkarni, Kaivalya G.,Murphy, Graham K.. "Synthesis of Aryldihalomethanes by Denitrogenative Dihalogenation of Benzaldehyde Hydrazones". . p. 2222 - 2228. Retrieved 2017/07/07.