Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI)

Base Information

• Chemical Name: Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI)
• CAS No.: 105676-08-2
• Molecular Formula: C7H13 N O S
• Molecular Weight: 159.24922
• Mol file: 105676-08-2.mol

Synonyms:Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI)

Chemical Property of Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI)

Chemical Property:

• PSA: 81.89000
• LogP: 1.66060

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI)

There total 3 articles about Cyclohexanecarboxamide, 4-mercapto-, cis- (9CI) 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: 90.1%

2-thiabicyclo<2.2.2>octane-3-one (105676-16-2) → cis-4-mercaptocyclohexanecarboxamide (105676-08-2)

Guidance literature:

With ammonium hydroxide; for 20h; Ambient temperature;

Reference yield:

3,3-bis-(1,2,4-triazol-1-yl)-2-thiabicyclo<2.2.2.>oct-5-ene (74346-66-0) → cis-4-mercaptocyclohexanecarboxamide (105676-08-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 86.8 percent / hydrogen / 10percent Pd/C / ethyl acetate / 20 h / 2585.7 Torr / Ambient temperature

2: 89.8 percent / 1N HCl / Heating

3: 90.1 percent / conc. NH₄OH / 20 h / Ambient temperature

With hydrogenchloride; ammonium hydroxide; hydrogen; palladium on activated charcoal; In ethyl acetate;

Reference yield:

3,3-bis(1,2,4-triazol-1-yl)-2-thiabicyclo<2.2.2>octane (105737-63-1) → cis-4-mercaptocyclohexanecarboxamide (105676-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 89.8 percent / 1N HCl / Heating

2: 90.1 percent / conc. NH₄OH / 20 h / Ambient temperature

With hydrogenchloride; ammonium hydroxide;

upstream raw materials:

2-thiabicyclo<2.2.2>octane-3-one

3,3-bis-(1,2,4-triazol-1-yl)-2-thiabicyclo<2.2.2.>oct-5-ene

3,3-bis(1,2,4-triazol-1-yl)-2-thiabicyclo<2.2.2>octane

Downstream raw materials:

p-nitrobenzyl (6S)-<(1R)-hydroxyethyl>-2--(5R)-carbapen-2-em-3-carboxylate

p-nitrobenzyl (6S)-<(1R)-hydroxyethyl>-2--(5R)-carbapen-2-em-3-carboxylate

(6S)-<(1R)-hydroxyethyl>-2-(cis-4-(aminomethyl)cyclohexylthio)-(5R)-carbapen-2-em-3-carboxylic acid

cis-4-(p-nitrobenzyloxycarbonylaminomethyl)cyclohexylthiol

Refernces