N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl ester

Base Information

• Chemical Name: N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl ester
• CAS No.: 1030603-66-7
• Molecular Formula: C12H20N2O2S
• Molecular Weight: 256.369
• Mol file: 1030603-66-7.mol

Synonyms:N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl ester

Chemical Property of N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl ester

Chemical Property:

• PSA: 82.78000
• LogP: 3.31600

Purity/Quality:

>95%,>98%e.e. ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl ester

There total 3 articles about N-[(1R,2R)-2-isothiocyanatocyclohexyl]-CarbaMic acid-1,1-diMethylethyl 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:

carbon disulfide (75-15-0,12122-00-8) + tert-butyl ((1R,2R)-2-aminocyclohexyl)carbamate (146504-07-6) → tert-butyl (1R,2R)-2-isothio-cyanatocyclohexylcarbamate (1030603-66-7)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; at 0 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.05.006

Reference yield:

(1R,2R)-1,2-diaminocyclohexane (20439-47-8) → tert-butyl (1R,2R)-2-isothio-cyanatocyclohexylcarbamate (1030603-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 24 h / 0 - 20 °C / Inert atmosphere

2: dicyclohexyl-carbodiimide / tetrahydrofuran / 20 h / 0 - 20 °C / Inert atmosphere

With dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2014.05.006

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl (1R,2R)-2-isothio-cyanatocyclohexylcarbamate (1030603-66-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 24 h / 0 - 20 °C / Inert atmosphere

2: dicyclohexyl-carbodiimide / tetrahydrofuran / 20 h / 0 - 20 °C / Inert atmosphere

With dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.tetlet.2014.05.006

upstream raw materials:

(1R,2R)-1,2-diaminocyclohexane

carbon disulfide

tert-butyl ((1R,2R)-2-aminocyclohexyl)carbamate

di-tert-butyl dicarbonate

Downstream raw materials:

C₃₂H₄₅N₅O₃S

1-((1R,2R)-2-aminocyclohexyl)-3-((S)-1-(dimethylamino)-3-methylbutan-2-yl)thiourea

1-((1R,2R)-2-aminocyclohexyl)-3-((S)-2-(dimethylamino)-3-methylbutyl)thiourea

1-((1R,2R)-2-aminocyclohexyl)-3-(2(dimethylamino)ethyl)thiourea

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