5-Trifluoromethyl-quinazoline-2,4-d iamine

Base Information

• Chemical Name: 5-Trifluoromethyl-quinazoline-2,4-d iamine
• CAS No.: 133116-84-4
• Molecular Formula: C9H7 F3 N4
• Molecular Weight: 228.17
• Mol file: 133116-84-4.mol

Synonyms:5-Trifluoromethyl-quinazoline-2,4-d iamine;5-Trifluoromethyl-quinazoline-2,4-d ;2,4-Quinazolinediamine, 5-(trifluoromethyl)-;Aids007482;Aids-007482

Chemical Property of 5-Trifluoromethyl-quinazoline-2,4-d iamine

Chemical Property:

• Vapor Pressure: 6.88E-08mmHg at 25°C
• Boiling Point: 438.5°Cat760mmHg
• Flash Point: 219°C
• PSA: 79.28000
• Density: 1.54g/cm³
• LogP: 1.67320

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethyl)quinazoline-2,4-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Trifluoromethyl-quinazoline-2,4-d iamine

There total 2 articles about 5-Trifluoromethyl-quinazoline-2,4-d iamine 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: 98.0%

diguanidine carbonate (593-85-1,90332-86-8,3425-08-9) + 2-fluoro-6-(trifluoromethyl)benzonitrile (133116-83-3) → 5-(trifluoromethyl)quinazoline-2,4-diamine (133116-84-4)

Guidance literature:

With ISOPROPYLAMIDE; at 128 - 130 ℃; for 5h;

DOI:10.1002/jhet.5570270746

Reference yield:

guanidine carbonate (593-85-1,90332-86-8,3425-08-9) + 2-fluoro-6-(trifluoromethyl)benzonitrile (133116-83-3) → 5-(trifluoromethyl)quinazoline-2,4-diamine (133116-84-4)

Guidance literature:

In N,N-dimethyl acetamide; at 130 ℃; for 3h; Sealed tube;

Reference yield:

5-(trifluoromethyl)quinazoline-2,4-diamine (133116-84-4) → 5-trifluoromethyl-5,8-dideazafolic acid (133116-91-3)

Guidance literature:

Multi-step reaction with 6 steps

1: 94 percent / 1N aq. sodium hydroxide / 5 h / Heating

2: 61 percent / 98 percent sulfuric acid, 90 percent nitric acid / 1) 0 deg C, 30 min; 2) RT, 24 h

3: 69 percent / H₂ / 10 percent palladium charcoal / dimethylformamide; 2-methoxy-ethanol / 0.5 h / 2327.2 Torr

4: 1) 2N aq. hydrochloric acid, sodium nitrite; 2) CuCl / 1) 2 deg C, 20 min; 2) H₂O, 2 deg C, 30 min, then 35 deg C, 30 min, then RT, 1 h

5: 70 percent acetic acid, H₂ / Raney nickel / Ambient temperature

6: 72 percent / trifluoroacetic acid / 3 h / Ambient temperature

With hydrogenchloride; sodium hydroxide; sulfuric acid; hydrogen; nitric acid; acetic acid; trifluoroacetic acid; copper(l) chloride; sodium nitrite; palladium on activated charcoal; nickel; In 2-methoxy-ethanol; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570270746

upstream raw materials:

diguanidine carbonate

2-fluoro-6-(trifluoromethyl)benzonitrile

guanidine carbonate

Downstream raw materials:

5-trifluoromethyl-5,8-dideazafolic acid

5-trifluoromethyl-5,8-dideazaisofolic acid

di-t-butyl 5-trifluoromethyl-5,8-dideazafolate

di-t-butyl 5-trifluoromethyl-5,8-dideazaisofolate

Refernces

• 1、 -. "2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF". Page/Page column 25. . Retrieved 2019/09/18.