N,N'-Dicyclohexyl-4-morpholinecarboxamidine

Base Information

• Chemical Name: N,N'-Dicyclohexyl-4-morpholinecarboxamidine
• CAS No.: 4975-73-9
• Molecular Formula: C17H31N3O
• Molecular Weight: 293.453
• Hs Code.: 2934999090
• European Community (EC) Number: 225-622-1
• NSC Number: 67197
• DSSTox Substance ID: DTXSID60198013
• Nikkaji Number: J24.472D
• ChEMBL ID: CHEMBL123456
• Mol file: 4975-73-9.mol

Synonyms:4-Morpholinecarboxamidine,N,N'-dicyclohexyl- (6CI,8CI);4-Morpholine-N,N'-dicyclohexylcarboxamidine;4-Morpholino-N,N'-dicyclohexylcarboxamidine;Morpholino-N,N'-dicyclohexylcarboxamidine;NSC 67197;U 18177;N,N'-Dicyclohexyl-4-morpholinecarboxamidine;

Chemical Property of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

Chemical Property:

• Appearance/Colour: White crystals crystalline powder.
• Melting Point: 105-107 °C(lit.)
• Boiling Point: 423.2 °C at 760 mmHg
• PKA: 11.85±0.20(Predicted)
• Flash Point: 209.7 °C
• PSA: 36.86000
• Density: 1.18 g/cm³
• LogP: 3.25840
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 293.246712621
• Heavy Atom Count: 21
• Complexity: 327

Purity/Quality:

99%, ^*data from raw suppliers

N,N''-Dicyclohexyl-4-morpholinecarboxamidine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=NC2CCCCC2)N3CCOCC3
• Uses: N,N′-Dicyclohexyl-4-morpholinecarboxamidine was used as reagent in the synthesis of alkoxyalkyl analogs of nucleotide phosphonates, cidofovir and cyclic cidofovir.

Technology Process of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

There total 4 articles about N,N'-Dicyclohexyl-4-morpholinecarboxamidine 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: 99.0%

morpholine (110-91-8,99108-56-2) + dicyclohexyl-carbodiimide (538-75-0) → N,N'-dicyclohexyl-4-morpholine carboxamidine (4975-73-9)

Guidance literature:

With Sm[N(TMS)2]2(THF)3; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo801693z

Reference yield: 60.5%

cyclohexylamine (108-91-8,157973-60-9) + N-cyclohexyl-4-morpholinecarboximidoyl chloride hydrochloride → N,N'-dicyclohexyl-4-morpholine carboxamidine (4975-73-9)

Guidance literature:

In tetrahydrofuran; chloroform; a) RT, 2 h, b) reflux, 2 h;

DOI:10.1021/jm00048a005

Reference yield:

(cyclohexylamino)morpholin-4-ylmethane-1-thione (36903-85-2) → N,N'-dicyclohexyl-4-morpholine carboxamidine (4975-73-9)

Guidance literature:

Multi-step reaction with 2 steps

1: COCl₂ / tetrahydrofuran / 18 h / Ambient temperature

2: 60.5 percent / CHCl₃; tetrahydrofuran / a) RT, 2 h, b) reflux, 2 h

With COCl₂; In tetrahydrofuran; chloroform;

DOI:10.1021/jm00048a005

upstream raw materials:

cyclohexylamine

(cyclohexylamino)morpholin-4-ylmethane-1-thione

morpholine

dicyclohexyl-carbodiimide

Downstream raw materials:

Piperazine-1,4-dicarboxylic acid bis-(cyclohexyl-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-amide)

Octanedioic acid bis-(cyclohexyl-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-amide)

1-Cyclohexyl-3-[4-(3-cyclohexyl-3-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-ureido)-phenyl]-1-{[(E)-cyclohexylimino]-morpholin-4-yl-methyl}-urea

cyclic cidofovir DCMC salt