3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

Base Information

Chemical Name:3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester
CAS No.:307989-30-6
Molecular Formula:C₃₁H₃₇F₆N₃O₄
Molecular Weight:629.643
Hs Code.:

Synonyms:3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

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Chemical Property of 3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

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Technology Process of 3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

There total 10 articles about 3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester 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: 67.0%

: 65141-19-7
(3,5-bis-trifluoromethylphenyl)carbamic acid phenyl ester

: 307989-28-2
3-{4-[(4-tert-butyl-cyclohexylamino)-methyl]-benzoylamino}-propionic acid methyl ester

: 307989-30-6
3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

Guidance literature:: With triethylamine; In dichloromethane; for 4h; Heating;
DOI:10.1021/jm058026u

Reference yield:

: 5400-88-4
4-tert-butylcyclohexylamine

: 307989-30-6
3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: K₂CO₃ / dimethylformamide / 23 h / 20 - 100 °C

2: DIPEA / tetrahydrofuran / 20 °C

3: 24.3 g / aq. NaOH; ethanol / 4 h / 70 °C

4: 89 percent / HOBt; N-dimethylaminopropyl-N'-ethylcarbodiimide hydrochloride; DIPEA / dimethylformamide / 16 h / 20 °C

5: TFA / CH₂Cl₂ / 20 °C

6: 67 percent / triethylamine / CH₂Cl₂ / 4 h / Heating

With sodium hydroxide; ethanol; potassium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm058026u

Reference yield:

: 307989-24-8
trans-4-[(4-tert-butylcyclohexylimino)methyl]benzoic acid methyl ester

: 307989-30-6
3-{4-[3-(3,5-bis-trifluoromethylphenyl)-1-(4-trans-tert-butylcyclohexyl)ureidomethyl]benzoylamino}propionic acid methyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 100 percent / acetic acid; NaCNBH₃ / methanol / 0.5 h / 20 °C

2: DIPEA / tetrahydrofuran / 20 °C

3: 24.3 g / aq. NaOH; ethanol / 4 h / 70 °C

4: 89 percent / HOBt; N-dimethylaminopropyl-N'-ethylcarbodiimide hydrochloride; DIPEA / dimethylformamide / 16 h / 20 °C

5: TFA / CH₂Cl₂ / 20 °C

6: 67 percent / triethylamine / CH₂Cl₂ / 4 h / Heating

With sodium hydroxide; ethanol; sodium cyanoborohydride; benzotriazol-1-ol; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm058026u