Diethylcyanamide

Base Information

• Chemical Name: Diethylcyanamide
• CAS No.: 617-83-4
• Molecular Formula: C5H10 N2
• Molecular Weight: 98.1478
• Hs Code.: 29269095
• European Community (EC) Number: 210-532-7
• NSC Number: 7768
• DSSTox Substance ID: DTXSID20210705
• Nikkaji Number: J55.427H
• Wikidata: Q83085467
• ChEMBL ID: CHEMBL274120
• Mol file: 617-83-4.mol

Synonyms:Diethylcyanamide;617-83-4;N,N-Diethylcyanamide;CYANAMIDE, DIETHYL-;N-Cyanodiethylamine;Diethylkyanamid;cyanodiethylamine;USAF EK-6326;Diethylkyanamid [Czech];(Diethylamino)carbonitrile;Diethyl-cyanamide;NSC 7768;EINECS 210-532-7;BRN 1741595;CHEMBL274120;4-04-00-00381 (Beilstein Handbook Reference);MFCD00001769;NSC7768;Diethylcyanamide, 99%;WLN: NCN2&2;DTXSID20210705;NSC-7768;BDBM50095484;AKOS015915817;AS-56776;LS-55762;D4965;EN300-1268695;J-802191

Chemical Property of Diethylcyanamide

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 0.613mmHg at 25°C
• Melting Point: -80.6°C
• Refractive Index: n20/D 1.423(lit.)
• Boiling Point: 186-188 °C(lit.)
• PKA: -4.27±0.70(Predicted)
• Flash Point: 157 °F
• PSA: 27.03000
• Density: 0.846 g/mL at 25 °C(lit.)
• LogP: 0.80928
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 75.3

Purity/Quality:

99% ^*data from raw suppliers

Diethylcyanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C#N
• Uses: Diethylcyanamide was used in the preparation of N,N′?substituted-5,5′?diamino-3,3′-bi-1,2,4-oxadiazoles.

Technology Process of Diethylcyanamide

There total 41 articles about Diethylcyanamide 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: 90.0%

N,N-diethylurea (634-95-7) + trichloromethyl chloroformate (503-38-8) → Diethylcyanamide (617-83-4)

Guidance literature:

In various solvent(s); Ambient temperature;

Reference yield: 87.0%

(3-Azido-3-phenyl-3H-azirin-2-yl)-diethyl-amine → Diethylcyanamide (617-83-4) + benzonitrile (100-47-0)

Guidance literature:

In tetrachloromethane; Heating;

DOI:10.1016/S0040-4039(01)81783-4

Reference yield: 83.0%

bromocyane (506-68-3) + 2,2,3,3,3-pentafluoropropyl alcohol (422-05-9) → Diethylcyanamide (617-83-4) + 2,2,3,3,3-pentafluoropropylcyanate

Guidance literature:

With triethylamine; In acetone; at 0 - 10 ℃;

DOI:10.1016/S0022-1139(00)85224-0

upstream raw materials:

ethyl bromide

sodium cyanamide

diethyl ether

bromocyane

Downstream raw materials:

N,N,N',N'-tetraethyl-guanidine

tetra-N-ethyl-2-(4-methoxy-phenyl)-2-thioxo-2H-2λ⁵-[1,3,5,2]thiadiazaphosphinine-4,6-diamine

N_.N-Diethyl-N'-(2-chlor-cyclohexyl)-harnstoff

6-phenyl-2-diethylamino-4H-1,3-oxazin-4-one

Refernces

• 1、 -. "A allyl uncle amine compound by one-step synthesis method of cyano uncle amine compound (by machine translation)". Paragraph 0061-0069. . Retrieved 2017/09/01.
• 2、 Hedayati, Mohammad Jalilzadeh,Pesyan, Nader Noroozi. "Flash preparation of carbenoids: A different performance of cyanogen bromide". . p. 2081 - 2089. Retrieved 2015/04/22.