1,2-Benzenediol, 3-[(phenylimino)methyl]-

Base Information

• Chemical Name: 1,2-Benzenediol, 3-[(phenylimino)methyl]-
• CAS No.: 141281-43-8
• Molecular Formula: C13H11NO2
• Molecular Weight: 213.236
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID50425183
• Nikkaji Number: J676.562I
• ChEMBL ID: CHEMBL532723
• Mol file: 141281-43-8.mol

Synonyms:1,2-Benzenediol, 3-[(phenylimino)methyl]-;141281-43-8;3-Phenyliminomethyl-benzene-1,2-diol;3-(Phenyliminomethyl)benzene-1,2-diol;GNF-Pf-2208;168915-11-5;MFCD00588863;168915-06-8;(6Z)-6-(anilinomethylidene)-2-hydroxycyclohexa-2,4-dien-1-one;2,4-Cyclohexadien-1-one, 2-hydroxy-6-[(phenylamino)methylene]-, (Z)- (9CI);3-[(phenylimino)methyl]-1,2-benzenediol;CBMicro_016114;3-[(1E)-(phenylimino)methyl]benzene-1,2-diol;CHEMBL532723;SCHEMBL11408234;DTXSID50425183;CCG-5297;3-Phenyliminomethylbenzene-1,2-diol;STK023485;AKOS000483388;AKOS030241097;BIM-0016278.P001;3-[(E)-(phenylimino)methyl]benzene-1,2-diol;3-[(E)-N-phenylcarboximidoyl]benzene-1,2-diol;1,2-benzenediol,3-[(phenylimino)methyl]-,(e)-;AG-690/11450113;1,2-Benzenediol,3-[(phenylimino)methyl]-,(E)-(9ci)

Chemical Property of 1,2-Benzenediol, 3-[(phenylimino)methyl]-

Chemical Property:

• PSA: 49.33000
• LogP: 2.63620
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 213.078978594
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=CC2=C(C(=CC=C2)O)O

Technology Process of 1,2-Benzenediol, 3-[(phenylimino)methyl]-

There total 2 articles about 1,2-Benzenediol, 3-[(phenylimino)methyl]- 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:

2,3-dihydroxybenzaldehyde (24677-78-9) + aniline (62-53-3) → 3-(phenyliminomethyl)-1,2-benzenediol (141281-43-8,168915-06-8)

Guidance literature:

With ethanol;

Reference yield:

3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 3-(phenyliminomethyl)-1,2-benzenediol (141281-43-8,168915-06-8)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; hydrobromic acid

2: alcohol

With ethanol; hydrogen bromide; acetic acid;

Reference yield: 94.0%

C6H3(OH)2CHN(C6H5) (141281-43-8,168915-06-8) → (anilinomethyl)catechol

Guidance literature:

With hydrogen; In N,N-dimethyl acetamide; at 20 ℃; for 18h; under 760.051 Torr;

DOI:10.1039/d1ra08552b

upstream raw materials:

2,3-dihydroxybenzaldehyde

aniline

3-methoxy-2-hydroxybenzaldehyde

Downstream raw materials:

{Ru(P(C₆H₅)3)2(C₆H₃(OH)(O)CHN(C₆H₅))2}

{RuBr₂(As(C₆H₅)3)2(C₆H₃(OH)(O)CHNC₆H₅)}

{MoO₂(C₆H₃(OH)(O)CHNC₆H₅)2}

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