actimis

Base Information

• Chemical Name: actimis
• CAS No.: 1093108-50-9
• Molecular Formula: C₂₅H₂₆F₃N₅O₃
• Molecular Weight: 501.508
• Mol file: 1093108-50-9.mol

Synonyms:actimis

Chemical Property of actimis

Chemical Property:

• Boiling Point: 611.4±55.0 °C(Predicted)
• Density: 1.351±0.06 g/cm3(Predicted)

Purity/Quality:

99%Min. ^*data from raw suppliers

BI-671800 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: BI-671800 is a selective and potent CRTH2 antagonist.

Technology Process of actimis

There total 6 articles about actimis 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: 90.0%

[4,6-bisdimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid methyl ester (1413122-74-3) → actimis (1093108-50-9)

Guidance literature:

[4,6-bisdimethylamino-2-[4-(4-trifluoromethylbenzoylamino)benzyl]pyrimidin-5-yl]acetic acid methyl ester; With lithium hydroxide monohydrate; water; In tetrahydrofuran; methanol; at 55 - 65 ℃; for 3h;

With acetic acid; In tetrahydrofuran; methanol; at 0 - 65 ℃; for 2.5h;

Reference yield:

2-(4-nitrophenyl)acetamidine hydrochloride → actimis (1093108-50-9)

Guidance literature:

Multi-step reaction with 6 steps

1.1: sodium methylate / methanol / 4.17 h / 35 - 65 °C

1.2: 2 h / 35 - 45 °C / pH 6.2

2.1: triethylamine; trichlorophosphate / toluene / 3.08 h / 15 - 105 °C

3.1: Isopropyl acetate / 5.5 h / 15 - 75 °C / 1875.19 Torr / Autoclave

4.1: hydrogen / palladium 10% on activated carbon / methanol / 1 h / 30 - 60 °C / 2250.23 Torr

5.1: N-ethyl-N,N-diisopropylamine / methanol / 4.25 h / 0 - 70 °C

6.1: water; lithium hydroxide monohydrate / tetrahydrofuran; methanol / 3 h / 55 - 65 °C

6.2: 2.5 h / 0 - 65 °C

With lithium hydroxide monohydrate; water; hydrogen; sodium methylate; triethylamine; N-ethyl-N,N-diisopropylamine; trichlorophosphate; palladium 10% on activated carbon; In tetrahydrofuran; methanol; Isopropyl acetate; toluene;

Reference yield:

4-Nitrophenylacetonitrile (555-21-5,34512-13-5,174848-08-9) → actimis (1093108-50-9)

Guidance literature:

Multi-step reaction with 7 steps

1.1: acetyl chloride; methanol / toluene / 5 h / 15 - 45 °C

1.2: 2.17 h / 15 - 45 °C

2.1: sodium methylate / methanol / 4.17 h / 35 - 65 °C

2.2: 2 h / 35 - 45 °C / pH 6.2

3.1: triethylamine; trichlorophosphate / toluene / 3.08 h / 15 - 105 °C

4.1: Isopropyl acetate / 5.5 h / 15 - 75 °C / 1875.19 Torr / Autoclave

5.1: hydrogen / palladium 10% on activated carbon / methanol / 1 h / 30 - 60 °C / 2250.23 Torr

6.1: N-ethyl-N,N-diisopropylamine / methanol / 4.25 h / 0 - 70 °C

7.1: water; lithium hydroxide monohydrate / tetrahydrofuran; methanol / 3 h / 55 - 65 °C

7.2: 2.5 h / 0 - 65 °C

With methanol; lithium hydroxide monohydrate; water; hydrogen; sodium methylate; triethylamine; N-ethyl-N,N-diisopropylamine; acetyl chloride; trichlorophosphate; palladium 10% on activated carbon; In tetrahydrofuran; methanol; Isopropyl acetate; toluene;

upstream raw materials:

4-Nitrophenylacetonitrile

[4,6-dichloro-2-(4-nitrobenzyl)pyrimidin-5-yl]acetic acid methyl ester

[4,6-dihydroxy-2-(4-nitrobenzyl)pyrimidin-5-yl]acetic acid methyl ester

[4,6-bis-dimethylamino-2-(4-nitrobenzyl)pyrimidin-5-yl]acetic acid methyl ester

Downstream raw materials:

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

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

Refernces