methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate

Base Information

• Chemical Name: methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate
• CAS No.: 1214272-01-1
• Molecular Formula: C₂₆H₂₈F₃N₅O₃
• Molecular Weight: 516.524
• Mol file: 1214272-01-1.mol

Synonyms:methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate

Chemical Property of methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate

There total 8 articles about methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate 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:

methyl [2-(4-aminobenzyl)-4,6-bis(dimethylamino)-[2-(13C)]pyrimidin-5-yl]acetate (1214272-00-0) + 4-trifluoromethyl-phenyl acetyl chloride (329-15-7) → methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate (1214272-01-1)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

Reference yield:

2-(4-nitrophenyl)-[1-(13C)]ethanimidamide hydrochloride (1214271-96-1) → methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate (1214272-01-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: sodium methylate / methanol / 1.5 h / Reflux

1.2: 0.5 h / 0 °C

2.1: trichlorophosphate; N,N-dimethyl-aniline / toluene / 2 h / Reflux

3.1: N-ethyl-N,N-diisopropylamine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 3.5 h / 20 - 150 °C

4.1: hydrogen / palladium 10% on activated carbon / methanol / 3.17 h / 20 °C

5.1: triethylamine / dichloromethane / 1 h / 0 - 20 °C

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hydrogen; sodium methylate; N,N-dimethyl-aniline; triethylamine; N-ethyl-N,N-diisopropylamine; trichlorophosphate; palladium 10% on activated carbon; In methanol; dichloromethane; toluene;

Reference yield:

methyl [4,6-dihydroxy-2-(4-nitrobenzyl)-[2-(13C)]pyrimidin-5-yl]acetate (1214271-97-2) → methyl [4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)[2-(13C)]pyrimidin-5-yl]acetate (1214272-01-1)

Guidance literature:

Multi-step reaction with 4 steps

1: trichlorophosphate; N,N-dimethyl-aniline / toluene / 2 h / Reflux

2: N-ethyl-N,N-diisopropylamine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone / 3.5 h / 20 - 150 °C

3: hydrogen / palladium 10% on activated carbon / methanol / 3.17 h / 20 °C

4: triethylamine / dichloromethane / 1 h / 0 - 20 °C

With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; hydrogen; N,N-dimethyl-aniline; triethylamine; N-ethyl-N,N-diisopropylamine; trichlorophosphate; palladium 10% on activated carbon; In methanol; dichloromethane; toluene;

upstream raw materials:

benzyl bromide

methyl [2-(4-aminobenzyl)-4,6-bis(dimethylamino)-[2-(13C)]pyrimidin-5-yl]acetate

4-trifluoromethyl-phenyl acetyl chloride

<1-13C>-phenylacetonitrile

Downstream raw materials:

[4,6-bis(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-[2-(13C)]pyrimidin-5-yl]acetic acid