CID 54022473

Base Information

• Chemical Name: CID 54022473
• CAS No.: 25952-53-8
• Molecular Formula: C8H18ClN3
• Molecular Weight: 191.704
• Hs Code.: 29252000
• Mol file: 25952-53-8.mol

Synonyms:SCHEMBL1185428

Chemical Property of CID 54022473

Chemical Property:

• Appearance/Colour: White crystalline powder
• Vapor Pressure: 0.171mmHg at 25°C
• Melting Point: 110-115 °C(lit.)
• Refractive Index: n20/D 1.461
• Boiling Point: 197.7 °C at 760 mmHg
• Flash Point: 73.4 °C
• PSA: 27.96000
• Density: 0.877g/mLat 20°C(lit.)
• LogP: 1.93390
• Storage Temp.: −20°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: soluble1 gm/10 ml, clear to very slightly hazy, colorless t
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 191.1189253
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99%Min ^*data from raw suppliers

N-Ethyl-N’-(3-dimethylaminopropyl)carbodimideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38-41-37/38-20/21/22
• Safety Statements: 26-36/37/39-45-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[NH+]=C=NCCCN(C)C.[Cl-]
• Uses: 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride is water-soluble carbodiimide, widely used for peptide coupling. 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride is used as a carboxyl activating agent. It plays a vital role for immobilization of large biomolecules in association with N-hydroxysuccinimide. It is also used in the acylation of phosphoranes.

Technology Process of CID 54022473

There total 8 articles about CID 54022473 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%

N-(3-dimethylaminopropyl)-N-ethylcarbodiimide (1892-57-5,754131-18-5) → 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride (25952-53-8)

Guidance literature:

With triethylamine hydrochloride; In acetonitrile; at 15 ℃; for 1h; Temperature;

Reference yield: 66.0%

{7-cyano-2-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}-acetic acid methyl ester → 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride (25952-53-8)

Guidance literature:

With hydrogenchloride; at 90 ℃; for 42h;

Reference yield:

pyridine hydrochloride (628-13-7) + N-(3-dimethylaminopropyl)-N-ethylcarbodiimide (1892-57-5,754131-18-5) → 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride (25952-53-8)

Guidance literature:

In dichloromethane; at 30 ℃; Solvent; Temperature;

upstream raw materials:

pyridine hydrochloride

N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure

3-(dimethylamino)propyl isothiocyanate

Downstream raw materials:

homovanillic acid pentafluorophenyl ester

5-fluoro-2-methyl-3-(N-(S-α-hydroxylmethyl)benzyl)-indenylacetamide

C₂₇H₂₇ClN₆O₂

N-(4-dimethylaminophenyl)-α-[(1,1-dimethylethoxycarbonyl)amino]-4-pentynamide

Refernces

• 1、 -. "1 - (3-dimethylamino-propyl) - 3-ethyl carbodiimide hydrochloride preparation method". Paragraph 0055. . Retrieved 2017/05/10.
• 2、 -. "Acrylamide derivatives and process for production thereof". . . Retrieved 2008/06/13.