Propan-2-ylcarbonimidoyl

Base Information

• Chemical Name: Propan-2-ylcarbonimidoyl
• CAS No.: 29119-58-2
• Molecular Formula: C4H7 Cl2 N
• Molecular Weight: 140.012
• DSSTox Substance ID: DTXSID40511423
• Nikkaji Number: J1.441.506H
• Mol file: 29119-58-2.mol

Synonyms:Propan-2-ylcarbonimidoyl;29119-58-2;isopropyl-carbonimidoyl dichloride;DTXSID40511423

Chemical Property of Propan-2-ylcarbonimidoyl

Chemical Property:

• Refractive Index: 1.5500 (estimate)
• Boiling Point: 227.65°C (rough estimate)
• PSA: 12.36000
• Density: 1.3719 (rough estimate)
• LogP: 2.22840
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.9955546
• Heavy Atom Count: 7
• Complexity: 73.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3:
• Safety Statements: Reacts violently with water. Violent reaction "> −, Cl−, and NOx. See also CHLORIDES and ISOCYANIDES." target="_blank">Reacts violently with water. Violent reaction

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N=C(Cl)Cl

Technology Process of Propan-2-ylcarbonimidoyl

There total 2 articles about Propan-2-ylcarbonimidoyl 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: 14.0%

1,3-diisopropylurea (4128-37-4) → i-propyl isocyanide (598-45-8) + Isopropylisocyanid-dichlorid (29119-58-2) + diisopropyl-carbodiimide (693-13-0)

Guidance literature:

With sodium hydroxide; triethylamine; In chloroform; for 4h; Heating;

Reference yield:

Isopropyl isocyanate (1795-48-8) → Isopropylisocyanid-dichlorid (29119-58-2)

Guidance literature:

With chlorine; In tetrachloromethane;

DOI:10.1021/jo00812a014

Reference yield:

chloro-diisopropyl-amine (24948-81-0) + Isopropylisocyanid-dichlorid (29119-58-2) + cyclohexanol (108-93-0) → 2-Cyclohexyl-1,1,3-triisopropyluronium-hexachloroantimonat

Guidance literature:

With antimonypentachloride; Yield given. Multistep reaction; 1) CH₂Cl₂, -89 deg C, 2) CH₂Cl₂, 23 deg C;

upstream raw materials:

Isopropyl isocyanate

1,3-diisopropylurea

Refernces

• 1、 Schroth, W.,Kluge, H.,Frach, R.,Hodek, W.,Schaedler, H. D.. "The Dehydration of Ureas by Two-Phase Dichlorocarbene Reaction, a Synthetic Access to Substituted Cyanamides". . p. 787 - 802. Retrieved 2007/10/02.