(S)-7-(Trifluoromethyl)chroman-4-amine

Base Information

• Chemical Name: (S)-7-(Trifluoromethyl)chroman-4-amine
• CAS No.: 1140496-05-4
• Molecular Formula: C10H10F3NO
• Molecular Weight: 217.191
• Mol file: 1140496-05-4.mol

Synonyms:2H-1-Benzopyran-4-amine, 3,4-dihydro-7-(trifluoromethyl)-, (4S)-;(4S)-7-(Trifluoromethyl)chroman-4-amine;

Chemical Property of (S)-7-(Trifluoromethyl)chroman-4-amine

Chemical Property:

• Boiling Point: 249.656 °C at 760 mmHg
• PKA: 8.27±0.20(Predicted)
• Flash Point: 104.789 °C
• PSA: 35.25000
• Density: 1.29 g/cm³
• LogP: 3.18800
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

(S)-7-(Trifluoromethyl)chroman-4-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-7-(Trifluoromethyl)chroman-4-amine

There total 3 articles about (S)-7-(Trifluoromethyl)chroman-4-amine 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:

7-trifluoromethyl-chroman-4-one O-methyl-oxime (890838-99-0) → (S)-7-(trifluoromethyl)chroman-4-amine (1140496-05-4)

Guidance literature:

With palladium 10% on activated carbon; ammonia; hydrogen; In methanol; at 20 ℃; for 1h; under 3102.97 Torr;

DOI:10.1016/j.bmcl.2011.01.056

Reference yield:

7-Trifluoromethyl-chroman-4-ylamine (704208-25-3) + methyl methoxyacetate (6290-49-9) → (S)-7-(trifluoromethyl)chroman-4-amine (1140496-05-4) + C13H14F3NO3

Guidance literature:

7-Trifluoromethyl-chroman-4-ylamine; methyl methoxyacetate; Novozyme 435 (lipase acrylic resin from Candida antarctica); In tert-butyl methyl ether; for 3h; Heating / reflux;

With hydrogenchloride; In water;

With sodium hydroxide; In water; pH=11; Purification / work up;

Reference yield:

2,3-dihydro-7-(trifluoromethyl)-4H-1-benzopyran-4-one (111141-02-7) → (S)-7-(trifluoromethyl)chroman-4-amine (1140496-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 24 h / 20 °C

2: palladium 10% on activated carbon; ammonia; hydrogen / methanol / 1 h / 20 °C / 3102.97 Torr

With pyridine; palladium 10% on activated carbon; ammonia; hydrogen; In methanol;

DOI:10.1016/j.bmcl.2011.01.056

upstream raw materials:

7-Trifluoromethyl-chroman-4-ylamine

methyl methoxyacetate

7-trifluoromethyl-chroman-4-one O-methyl-oxime

2,3-dihydro-7-(trifluoromethyl)-4H-1-benzopyran-4-one

Downstream raw materials:

(R)-2-(2-(4-chlorobenzyl)-5-methyl-2H-1,2,4-triazol-3-yl)-N-((S)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-1-carboxamide

(R)-2-(2-(4-Chlorobenzyl)-2H-1,2,4-triazol-3-yl)-N-((S)-7-(trifluoromethyl)chroman-4-yl)pyrrolidine-1-carboxamide

(3R,5R)-1-(((S)-7-(trifluoromethyl)chroman-4-yl)carbamoyl)-5-(4-(4-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-3-yl acetate

(R)-2-(4-((S)-1-(4-chlorophenyl)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-N-((S)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-1-carboxamide

Refernces

• 1、 -. "ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES and INFLAMMATION". Page/Page column 14. . Retrieved 2009/04/24.