Salicylidene o-chloroaniline

Base Information

• Chemical Name: Salicylidene o-chloroaniline
• CAS No.: 3172-42-7
• Molecular Formula: C13H10 Cl N O
• Molecular Weight: 231.681
• Hs Code.: 2925290090
• European Community (EC) Number: 653-109-6
• DSSTox Substance ID: DTXSID401279199
• Nikkaji Number: J2.030.889C,J2.030.890G,J308.151F,J1.423.247H,J2.770.955I
• Mol file: 3172-42-7.mol

Synonyms:Salicylidene o-chloroaniline;3172-42-7;2-[(2-chlorophenyl)iminomethyl]phenol;.alpha.-(2-Chlorophenylimino)-ortho-cresol;2-[[(2-Chlorophenyl)imino]methyl]phenol;2-{[(2-CHLOROPHENYL)IMINO]METHYL}PHENOL;(6E)-6-[(2-chloroanilino)methylidene]cyclohexa-2,4-dien-1-one;TimTec1_007322;N-Salicylidene-2-chloroaniline;SCHEMBL1946250;2-chloro-N-(salicylidene)aniline;DTXSID401279199;HMS1554M18;MFCD00020069;AKOS000508133;alpha-(2-Chlorophenylimino)-ortho-cresol;2-[(E)-2-Chlorophenyliminomethyl]phenol;2-[N-(2-chlorophenyl)carboximidoyl]phenol;(E)-2-((2-chlorophenylimino)methyl)phenol;FT-0676066;Phenol, o-[N-(o-chlorophenyl)formimidoyl]-;Phenol, 2-[[(2-chlorophenyl)imino]methyl]-;2-((E)-[(2-Chlorophenyl)imino]methyl)phenol #;SR-01000369360;SR-01000369360-1;(6E)-6-(2-Chloroanilinomethylene)-1,3-cyclohexadiene-5-one;(6Z)-6-(2-Chloroanilinomethylene)-1,3-cyclohexadiene-5-one;2-[(2-Chlorophenyl)aminomethylene]-3,5-cyclohexadiene-1-one

Chemical Property of Salicylidene o-chloroaniline

Chemical Property:

• Vapor Pressure: 9.9E-06mmHg at 25°C
• Melting Point: 82-83 °C
• Boiling Point: 372°C at 760 mmHg
• PKA: 8.28±0.30(Predicted)
• Flash Point: 178.8°C
• PSA: 32.59000
• Density: 1.395g/cm³
• LogP: 3.79620
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.0450916
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

Salicylideneo-Chloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=NC2=CC=CC=C2Cl)O

Technology Process of Salicylidene o-chloroaniline

There total 6 articles about Salicylidene o-chloroaniline 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: 96.0%

salicylaldehyde (90-02-8) + o-chloroaniline (95-51-2) → N-salicylidene-o-chloroaniline (3172-42-7)

Guidance literature:

In ethanol; Reflux;

DOI:10.1016/j.ejmech.2012.01.038

Reference yield: 95.0%

salicylaldehyde (90-02-8) + o-chloroaniline (95-51-2) → 2-chloro-N-(salicylidene)aniline (3172-42-7)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 20 ℃; for 12h;

DOI:10.1002/jhet.59

Reference yield: 89.0%

C13H10ClNO2 → N-salicylidene-o-chloroaniline (3172-42-7)

Guidance literature:

With ammonium chloride; indium; In methanol; Heating;

DOI:10.1080/00397910008086924

upstream raw materials:

salicylaldehyde

o-chloroaniline

2-methyl-benzyl alcohol

Downstream raw materials:

2-(2-chloro-anilinomethyl)-phenol

bis(N-2-chlorophenyl-salicydenaminato)nickel(II)

(3aS,4R,9aR)-N-(2-chlorophenyl)-3,3a,4,9a-tetrahydro-2H-furo[2,3-b]chromen-4-amine

N-(3-benzyl-4-((2-chlorophenyl)amino)-2-oxochroman-3-yl)benzamide

Refernces

• 1、 Elroby,Aboud,Aziz,Hilal. "Substituent effects on the absorption and vibrational spectra of some 2-hydroxy Schiff bases: DFT/TDDFT, natural bond orbital and experimental study". . p. 414 - 427. Retrieved 2015/08/06.
• 2、 Wang, Qingming,Zhu, Miaoli,Zhu, Ruiting,Lu, Liping,Yuan, Caixia,Xing, Shu,Fu, Xueqi,Mei, Yuhua,Hang, Qingwei. "Exploration of α-aminophosphonate N-derivatives as novel, potent and selective inhibitors of protein tyrosine phosphatases". experimental part. p. 354 - 364. Retrieved 2012/04/23.