Cme-carbodiimide

Base Information

• Chemical Name: Cme-carbodiimide
• CAS No.: 2491-17-0
• Deprecated CAS: 102292-00-2,105222-31-9,109359-69-5,128057-28-3,4304-32-9,4641-47-8,5939-47-9,66407-42-9,7329-78-4,94117-76-7,94608-57-8,97717-29-8
• Molecular Formula: C14H26N3O^.C7H7O3S
• Molecular Weight: 423.577
• Hs Code.: 29349990
• European Community (EC) Number: 219-650-3
• NSC Number: 231596
• DSSTox Substance ID: DTXSID60907344
• ChEMBL ID: CHEMBL1789981
• Mol file: 2491-17-0.mol

Synonyms:4-(2-((Cyclohexylimidocarbonyl)amino)ethyl)-4-methylmorpholinium;Carbodiimide, CME;CME Carbodiimide;CME-Carbodiimide;CMEC

Chemical Property of Cme-carbodiimide

Chemical Property:

• Appearance/Colour: white to slightly yellow powder
• Melting Point: 115-120 °C
• Refractive Index: 1.6320 (estimate)
• PSA: 99.53000
• Density: 1.1302 (rough estimate)
• LogP: 3.90850
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 423.21917772
• Heavy Atom Count: 29
• Complexity: 491

Purity/Quality:

98% ^*data from raw suppliers

1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimidemetho-p-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCCCC2
• Uses: Employed in a facile sequencing technique for pseudouridylate residues in RNA.

Technology Process of Cme-carbodiimide

There total 6 articles about Cme-carbodiimide 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: 89.0%

1-cyclohexyl-3-(2-morpholino-ethyl)-carbodiimide (15580-20-8) + methyl p-toluene sulfonate (80-48-8) → N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate (2491-17-0,4641-47-8)

Guidance literature:

In diethyl ether; Ambient temperature;

DOI:10.1055/s-1988-27590

Reference yield:

1-cyclohexyl-3-(2-morpholin-4-yl-ethyl)-urea (111681-32-4) → N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate (2491-17-0,4641-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / p-bromobenzene sulfonyl chloride, potassium carbonate / benzyltriethylammonium chloride / benzene / 3.5 h / Heating

2: 83 percent / diethyl ether / Ambient temperature

With potassium carbonate; 4-bromobenzenesulfonyl chloride; N-benzyl-N,N,N-triethylammonium chloride; In diethyl ether; benzene;

DOI:10.1055/s-1987-27992

Reference yield:

Cyclohexyl isocyanate (3173-53-3) → N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate (2491-17-0,4641-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / K₂CO₃ / xylene / 13 h / Heating

2: 89 percent / diethyl ether / Ambient temperature

With potassium carbonate; In diethyl ether; xylene;

DOI:10.1055/s-1988-27590

upstream raw materials:

1-cyclohexyl-3-(2-morpholino-ethyl)-carbodiimide

methyl p-toluene sulfonate

(2-morpholin-4-yl-ethyl)-phosphoramidic acid diethyl ester

Cyclohexyl isocyanate

Downstream raw materials:

O²,O⁵-dimethyl-L-arabinose

O²,O³-dimethyl-D-galactose

O²,O⁴-dimethyl-D-galactose

2.3.4-Tri-O-methyl-D-galactose

Refernces

• 1、 Jaszay, Zsuzsa M.,Petnehazy, Imre,Toeke, Laszlo,Szajani, Bela. "Preparation of Carbodiimides from Phosphoramidates". . p. 397 - 399. Retrieved 2007/10/02.