Tert-butylcyanamide

Base Information

• Chemical Name: Tert-butylcyanamide
• CAS No.: 36668-76-5
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• Hs Code.: 2926909090
• European Community (EC) Number: 630-953-3
• Nikkaji Number: J967.451I
• Mol file: 36668-76-5.mol

Synonyms:Tert-butylcyanamide;36668-76-5;tert-butyl(cyano)amine;TERT-BUTYL CYANAMIDE;t-butylcyanamide;Cyanamide, (1,1-dimethylethyl)-;AKOS011772350;CS-0239612;EN300-216054

Chemical Property of Tert-butylcyanamide

Chemical Property:

• PSA: 35.82000
• LogP: 1.24648
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

tert-Butylcyanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)NC#N

Technology Process of Tert-butylcyanamide

There total 16 articles about Tert-butylcyanamide 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: 95.0%

bromocyane (506-68-3) + tert-butylamine (75-64-9) → tert-butyl cyanamide (36668-76-5)

Guidance literature:

In diethyl ether; tetrahydrofyran; at 0 ℃; for 1h;

DOI:10.1002/ejoc.200701025

Reference yield: 91.0%

tert-butyl isothiocyanate (590-42-1) → tert-butyl cyanamide (36668-76-5)

Guidance literature:

With sodium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.tetlet.2008.08.106

Reference yield: 20.0%

1,1-dimethylethylurea (1118-12-3) → tert-butyl cyanamide (36668-76-5)

Guidance literature:

With dichlorocarbene; N-benzyl-N,N,N-triethylammonium chloride; In sodium hydroxide; chloroform; at 20 - 25 ℃;

upstream raw materials:

N-(t-butyl)thiourea

bromocyane

tert-butylamine

sodium cyanide

Downstream raw materials:

tert-Butyl-[5-(4-nitro-phenyl)-oxazol-2-yl]-amine

1,1-dimethylethylurea

2-tert-butylamino-6-phenyl-5-(3-phenylquinoxalin-2-yl)-4H-1,3-oxazin-4-one

N-(tert-butyl)-N-(4-(trifluoromethyl)phenyl)cyanamide

Refernces

• 1、 Zhang, Guofu,Zhao, Yiyong,Ding, Chengrong. "A cascade process for directly converting nitriles (RCN) to cyanamides (RNHCN) via SO2F2-activated Tiemann rearrangement". supporting information. p. 7684 - 7688. Retrieved 2019/08/30.
• 2、 Li, Jihui,Neuville, Luc. "Copper-catalyzed oxidative three-component synthesis of N, N′, N′-trisubstituted guanidines". supporting information. p. 6124 - 6127. Retrieved 2014/01/17.