(S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

Base Information

• Chemical Name: (S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid
• CAS No.: 1208245-85-5
• Molecular Formula: C18H34N2O5S
• Molecular Weight: 390.544
• Mol file: 1208245-85-5.mol

Synonyms:(S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

Chemical Property of (S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

Chemical Property:

• PSA: 124.44000
• LogP: 4.37720

Purity/Quality:

≥95% ^*data from raw suppliers

(S)-2-(3-(1-(tert-Butylsulfonylmethyl)cyclohexyl)ureido)-3,3-dimethylbutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid

There total 13 articles about (S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoic acid 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: 94.0%

L-tert-Leucine (20859-02-3) + C18H27NO4S (1263416-49-4) → C18H34N2O5S (1208245-85-5)

Guidance literature:

L-tert-Leucine; C₁₈H₂₇NO₄S; In isopropyl alcohol; at 70 ℃; for 1.5h; Industry scale;

With hydrogenchloride; In water; isopropyl alcohol; at 22 ℃; pH=<= 1.5; Industry scale;

Reference yield:

C12H21NO3S (848776-92-1) + L-tert-Leucine (20859-02-3) → C18H34N2O5S (1208245-85-5)

Guidance literature:

With triethylamine; In water; toluene;

DOI:10.1021/ml9000276

Reference yield:

methyl cyclohexylcarboxylate (4630-82-4) → C18H34N2O5S (1208245-85-5)

Guidance literature:

Multi-step reaction with 6 steps

1.1: diisopropylamine; n-butyllithium / tetrahydrofuran / 2 h / -10 °C / Industry scale

1.2: -10 - 25 °C

2.1: zinc dibromide / dichloromethane / 1.5 h / 20 - 45 °C / Industry scale

3.1: sodium hydroxide; water / methanol / 16 h / 70 °C / Industry scale

3.2: 10 °C / pH ~ 1.5 / Industry scale

4.1: Oxone / dichloromethane / 24 h / 15 °C / Industry scale

5.1: triethylamine; diphenyl phosphoryl azide / toluene / 9 h / 80 °C / 760.05 Torr / Industry scale; Reflux

6.1: triethylamine / toluene; water / 7 h / 0 - 20 °C / Industry scale

With Oxone; n-butyllithium; diphenyl phosphoryl azide; water; triethylamine; diisopropylamine; sodium hydroxide; zinc dibromide; In tetrahydrofuran; methanol; dichloromethane; water; toluene; 5.1: Curtius Rearrangement;

upstream raw materials:

C₁₂H₂₁NO₃S

L-tert-Leucine

C₁₈H₂₇NO₄S

cyclohexanone

Downstream raw materials:

C₂₇H₄₇N₃O₆S

narlaprevir

C₂₆H₄₅N₃O₆S

C₃₆H₆₃N₅O₇S