Diisopropylcyanamide

Base Information

• Chemical Name: Diisopropylcyanamide
• CAS No.: 3085-76-5
• Molecular Formula: C7H14 N2
• Molecular Weight: 126.202
• European Community (EC) Number: 221-401-9
• NSC Number: 7775
• UNII: TW5D978CY5
• DSSTox Substance ID: DTXSID70184866
• Nikkaji Number: J236.400J
• Wikidata: Q83055806
• Mol file: 3085-76-5.mol

Synonyms:Diisopropylcyanamide;3085-76-5;Cyanamide, bis(1-methylethyl)-;Cyanamide, diisopropyl-;di(propan-2-yl)cyanamide;cyanobis(propan-2-yl)amine;Diisopropylcyanimide;TW5D978CY5;NSC-7775;EINECS 221-401-9;N,N-diisopropylcyanamide;NSC7775;UNII-TW5D978CY5;SCHEMBL445338;N,N-Bis(1-methylethyl)cyanamide;DTXSID70184866;NSC 7775;MFCD00008865;Cyanamide, N,N-bis(1-methylethyl)-;AKOS006227752;CS-0217788;D4952;FT-0748292;EN300-84924;T70749

Chemical Property of Diisopropylcyanamide

Chemical Property:

• Vapor Pressure: 0.468mmHg at 25°C
• Melting Point: -27°C(lit.)
• Refractive Index: n20/D 1.427(lit.)
• Boiling Point: 193.3°Cat760mmHg
• PKA: -3.78±0.70(Predicted)
• Flash Point: 78.9°C
• PSA: 27.03000
• Density: 0.867g/cm³
• LogP: 1.58628
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

DIISOPROPYLCYANAMIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N(C#N)C(C)C

Technology Process of Diisopropylcyanamide

There total 22 articles about Diisopropylcyanamide 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: 92.0%

2-(Diisopropylamino)-1λ3-phosphaethin (128871-10-3) + diazodiphenylmethane (908093-98-1) → diisopropylcyanamide (3085-76-5) + Diisopropyl-(4,4,6,6-tetraphenyl-3-aza-1,5-diphospha-bicyclo[3.1.0]hex-2-en-2-yl)-amine

Guidance literature:

In toluene; at -196 - 20 ℃; for 3h;

DOI:10.1002/cber.19961291020

Reference yield: 89.0%

disodium cyanamide (20611-81-8) + isopropyl bromide (75-26-3) → diisopropylcyanamide (3085-76-5)

Guidance literature:

In N,N-dimethyl-formamide; at 80 ℃; for 12h;

Reference yield: 88.1%

2,5-dibromo-1,3,4-thiadiazole (55981-29-8) + diisopropylamine (108-18-9) → diisopropylcyanamide (3085-76-5)

Guidance literature:

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

upstream raw materials:

N,N-diisorpopylformamide

[1-Chloro-1-diisopropylamino-meth-(Z)-ylidene]-phosphoramidic acid diisobutyl ester

CYANAMID

isopropyl bromide

Downstream raw materials:

5-diisopropylaminotetrazole

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

6-Chloro-2-diisopropylamino-5-phenyl-[1,3]oxazin-4-one

8-Cyano-5,6,7,8-tetrahydroquinoline

Refernces

• 1、 -. "Preparation method of cyano tertiary amine". Paragraph 0066-0068; 0090-0095. . Retrieved 2020/12/09.
• 2、 Liang, Honggang,Bao, Lingxiang,Du, Yao,Zhang, Yiying,Pang, Siping,Sun, Chenghui. "Synthesis of Cyanamides from Cyanogen Bromide under Mild Conditions through N-Cyanation of Allylic Tertiary Amines". supporting information. p. 2675 - 2679. Retrieved 2017/10/06.