Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-

Base Information

• Chemical Name: Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-
• CAS No.: 1645-09-6
• Molecular Formula: C11H14 F3 N
• Molecular Weight: 217.2308
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID40167767
• Nikkaji Number: J40.735F
• Wikidata: Q83037215
• Mol file: 1645-09-6.mol

Synonyms:1645-09-6;2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-;1,1-DIMETHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE;alpha,alpha-Dimethyl-m-(trifluoromethyl)phenethylamine;BENZENEETHANAMINE, A,A-DIMETHYL-3-(TRIFLUOROMETHYL)-;Benzeneethanamine,a,a-dimethyl-3-(trifluoromethyl)-;BRN 3052515;alpha,alpha-Dimethyl-m-trifluoromethylphenethylamine;SCHEMBL1720582;DTXSID40167767;AKOS011914644;AB09813;EN300-1928709

Chemical Property of Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-

Chemical Property:

• Vapor Pressure: 0.0697mmHg at 25°C
• Boiling Point: 229.4°Cat760mmHg
• Flash Point: 96.3°C
• PSA: 26.02000
• Density: 1.128g/cm³
• LogP: 3.68550
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.10783394
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

1,1-DIMETHYL-2-(3-TRIFLUOROMETHYL-PHENYL)-ETHYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC1=CC(=CC=C1)C(F)(F)F)N

Technology Process of Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl-

There total 2 articles about Phenethylamine, alpha,alpha-dimethyl-m-trifluoromethyl- 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: 22.0%

N-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethyl]-formamide → 1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamine (1645-09-6)

Guidance literature:

N-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethyl]-formamide; With hydrogenchloride; ethanol; water; Heating / reflux;

With sodium hydroxide; In ethanol; water;

Reference yield:

→ 1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamine (1645-09-6)

Guidance literature:

Reference yield: 31.0%

8-(2-hydroxy-2-ethoxyacetyl)-6-(phenylmethoxy)-4H-1,4-benzoxazin-3-one (124955-27-7) + 1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamine (1645-09-6) + trifluoroacetic acid (76-05-1) → 8-{2-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one trifluoroacetate

Guidance literature:

8-(2-hydroxy-2-ethoxyacetyl)-6-(phenylmethoxy)-4H-1,4-benzoxazin-3-one; 1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamine; In ethanol; at 65 ℃; for 3h;

With sodium tetrahydroborate; In ethanol; at 20 ℃;

trifluoroacetic acid; With water; hydrogen; palladium 10% on activated carbon; more than 3 stages;

Refernces

• 1、 -. "novel benzoxazinone derivatives as slow-acting betamimetics and use thereof in treatment of respiratory tract diseases". Page/Page column 7. . Retrieved 2010/02/14.