Dibutylcyanamide

Base Information

• Chemical Name: Dibutylcyanamide
• CAS No.: 2050-54-6
• Molecular Formula: C9H18N2
• Molecular Weight: 154.255
• Hs Code.: 2926909090
• NSC Number: 227423,6319
• UNII: KBA1K5V0SI
• DSSTox Substance ID: DTXSID5062134
• Nikkaji Number: J80.380D
• Wikidata: Q81989865
• Mol file: 2050-54-6.mol

Synonyms:Dibutylcyanamide;N,N-Dibutylcyanamide;2050-54-6;Cyanamide, dibutyl-;Cyanamide, N,N-dibutyl-;N,N-Dibutyl cyanamide;dibutyl(cyano)amine;Dibutyl-cyanamide;NSC 6319;KBA1K5V0SI;NSC-6319;NSC 227423;NSC-227423;N-CYANODIBUTYLAMINE;dibutylamine-N-carbonitrile;Di-n-butylcyanamide;DIBUTYLCYANOAMINE;UNII-KBA1K5V0SI;SCHEMBL3297434;DTXSID5062134;NSC6319;MFCD00191223;NSC227423;AKOS006229901;AS-57861;CS-0196971;EN300-1268700

Chemical Property of Dibutylcyanamide

Chemical Property:

• Vapor Pressure: 0.00965mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 264.5 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 27.03000
• Density: 0.867 g/cm³
• LogP: 2.36968
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 154.146998583
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

DIBUTYLCYANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 23/24/25
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN(CCCC)C#N

Technology Process of Dibutylcyanamide

There total 19 articles about Dibutylcyanamide 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%

dibutylamine (111-92-2) + 3-oxo-1λ3-benzo[d][1,2]iodaoxole-1(3H)-carbonitrile (172876-96-9) → dibutylcyanamide (2050-54-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tetlet.2021.153564

Reference yield: 85.9%

2-bromo-1,3,4-thiadiazole (61929-24-6) + dibutylamine (111-92-2) → dibutylcyanamide (2050-54-6)

Guidance literature:

With copper; copper(I) bromide; for 2h; Reflux;

Reference yield: 82.0%

copper(l) cyanide + dibutylamine (111-92-2) → dibutylcyanamide (2050-54-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; oxygen; sodium sulfate; copper(ll) bromide; In acetonitrile; at 50 ℃; for 12h; Schlenk technique; Sealed tube;

DOI:10.1039/c4cc03439b

upstream raw materials:

1,3,5-Triazine

1-bromo-butane

sodium cyanamide

potassium cyanide

Downstream raw materials:

6-(4-Chloro-phenyl)-2-dibutylamino-[1,3]oxazin-4-one

2-Dibutylamino-6-phenyl-[1,3]oxazin-4-one

C₁₅H₂₃Cl₂N₃O₃S₂

6-(4-Bromo-phenyl)-2-dibutylamino-[1,3]oxazin-4-one

Refernces

• 1、 Hang, Zhaojun,Tong, Xiaowei,Li, Zuowa,Wang, Zhao-yan,Xue, Weihua. "A practical method for N-cyanation of secondary amines and sulfonamides". supporting information. . Retrieved 2022/02/07.
• 2、 Cai, Hu,Fu, Yaping,Fu, Zhengjiang,Guo, Shengmei,Hao, Guangguo,Yi, Xuezheng,Yin, Jian,Zhong, Tingting. "Electrochemical strategies for: N -cyanation of secondary amines and α C -cyanation of tertiary amines under transition metal-free conditions". supporting information. p. 9422 - 9427. Retrieved 2021/12/09.