Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (9CI)

Base Information

• Chemical Name: Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (9CI)
• CAS No.: 507264-68-8
• Molecular Formula: C9H14N2O2
• Molecular Weight: 182.21966
• Hs Code.: 2926909090
• Mol file: 507264-68-8.mol

Synonyms:Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (9CI)

Chemical Property of Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (9CI)

Chemical Property:

• Boiling Point: 316.3±21.0 °C(Predicted)
• PKA: 9.79±0.20(Predicted)
• PSA: 62.12000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 1.95818

Purity/Quality:

98% ^*data from raw suppliers

(1-Cyano-cyclopropyl)-carbamicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (9CI)

There total 4 articles about Carbamic acid, (1-cyanocyclopropyl)-, 1,1-dimethylethyl ester (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: 82.3%

tert-butyl N-(1 -carbamoylcyclopropyl)carbamate (507264-66-6) → tert-butyl (1-cyanocyclopropyl)carbamate (507264-68-8)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 5h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 1-amino-1-cyclopropanecarbonitrile hydrochloride (127946-77-4) → tert-butyl (1-cyanocyclopropyl)carbamate (507264-68-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 88h;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 1-aminocyclopropanecarbonitrile (196311-65-6) → tert-butyl (1-cyanocyclopropyl)carbamate (507264-68-8)

Guidance literature:

With triethylamine; In 1,4-dioxane; at 0 ℃; for 12h;

DOI:10.5012/jkcs.2013.57.2.241

upstream raw materials:

di-tert-butyl dicarbonate

1-amino-1-cyclopropanecarbonitrile hydrochloride

tert-butyl N-(1 -carbamoylcyclopropyl)carbamate

1-aminocyclopropanecarbonitrile

Downstream raw materials:

1-aminocyclopropanecarbonitrile

(1-pyrimidin-2-ylcyclopropyl)carbamic acid tert-butyl ester