o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-

Base Information

• Chemical Name: o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-
• CAS No.: 4081-35-0
• Molecular Formula: C20H24N2O2
• Molecular Weight: 324.423
• Hs Code.: 2925290090
• Mol file: 4081-35-0.mol

Synonyms:NSC 91309;EINECS 223-807-1;BRN 2059585;alpha,alpha'-(Hexamethylenedinitrilo)di-o-cresol;2,2'-(1,6-Hexanediylbis(nitrilomethylidyne))bisphenol;o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-;LS-55404

Chemical Property of o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-

Chemical Property:

• Melting Point: 68-69oC(lit.)
• Boiling Point: 540.7°Cat760mmHg
• Flash Point: 364.5°C
• PSA: 65.18000
• Density: 1.07g/cm³
• LogP: 4.19620
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 324.183778013
• Heavy Atom Count: 24
• Complexity: 348

Purity/Quality:

98%min ^*data from raw suppliers

N,N'-BIS(SALICYLIDENE)-1,6-HEXANEDIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CN=CCCCCC=NCC2=CC=CC=C2O)O

Technology Process of o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-

There total 6 articles about o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI- 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: 97.0%

1,6-Hexanediamine (124-09-4) + salicylaldehyde (90-02-8) → N,N'-disalicylidene-1,6-hexanediamine (4081-35-0)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 6h;

Reference yield: 97.0%

1,6-Hexanediamine (124-09-4) + salicylaldehyde (90-02-8) → N,N'-hexamethylene bis(salicylideneamine) (4081-35-0)

Guidance literature:

In methanol; at 20 ℃; for 0.166667h;

DOI:10.1134/S1070428009040101

Reference yield:

1,6-Hexanediamine (124-09-4) + 2-methyl-benzyl alcohol (89-95-2) → N,N'-disalicylidene-1,6-hexanediamine (4081-35-0)

Guidance literature:

In ethanol; Heating;

DOI:10.1016/S1386-1425(00)00353-X

upstream raw materials:

1,6-Hexanediamine

salicylaldehyde

2-methyl-benzyl alcohol

Downstream raw materials:

(Mn(C₅H₄NCO₂)2)2((OC₆H₄CHN)2(CH₂)6)

acetylacetone