2-Amino-3,5-dibromobenzaldehyde

Base Information

• Chemical Name: 2-Amino-3,5-dibromobenzaldehyde
• CAS No.: 50910-55-9
• Molecular Formula: C7H5Br2NO
• Molecular Weight: 278.931
• Hs Code.: 29223990
• European Community (EC) Number: 256-841-0
• DSSTox Substance ID: DTXSID70198943
• Nikkaji Number: J89.589J
• Wikidata: Q72435598
• Mol file: 50910-55-9.mol

Synonyms:2-Amino-3,5-dibromobenzaldehyde;50910-55-9;2-amino-3,5-dibromo-benzaldehyde;3,5-DIBROMO-2-AMINOBENZALDEHYDE;3,5-Dibromoanthranilaldehyde;Benzaldehyde, 2-amino-3,5-dibromo-;C7H5Br2NO;MFCD00671100;EINECS 256-841-0;EC 256-841-0;BROMHEXINE IMPURITY B;Bromhexine EP Impurity B;SCHEMBL285148;C7-H5-Br2-N-O;DTXSID70198943;AMY16465;BCP06911;STL450950;Benzaldehido, 2-amino-3,5-dibromo-;AKOS015854696;2-Amino-3,5-dibromobenzaldehyde, 97%;AC-10733;AC-31356;AS-12042;BP-12420;SY038949;CS-0030731;D2625;FT-0611038;EN300-136846;F12175;A828361;W-105925;Ambroxol EP Impurity E;Z1269136164

Chemical Property of 2-Amino-3,5-dibromobenzaldehyde

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Vapor Pressure: 0.000328mmHg at 25°C
• Melting Point: 136-139 °C
• Refractive Index: 1.702
• Boiling Point: 319.9 °C at 760 mmHg
• PKA: -2.29±0.10(Predicted)
• Flash Point: 147.3 °C
• PSA: 43.09000
• Density: 2.054 g/cm³
• LogP: 3.18750
• Storage Temp.: -20?C Freezer
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 278.87174
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99%min ^*data from raw suppliers

2-Amino-3- ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C=O)N)Br)Br
• Uses: 2-Amino-3,5-dibromobenzaldehyde is a reagent used in the preparation of Ambroxol and Bromhexine (B678600) metabolites. 2-Amino-3,5-dibromobenzaldehyde may be employed in the preparation of tetradentate Schiff base ligands, via condensation with aliphatic diamines. These ligands forms nickel (II) and oxovanadium(IV) complexes.

Technology Process of 2-Amino-3,5-dibromobenzaldehyde

There total 16 articles about 2-Amino-3,5-dibromobenzaldehyde 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: 91.9%

o-aminobenzaldehyde (529-23-7) → 3,5-dibromo-2-amino benzaldehyde (50910-55-9)

Guidance literature:

With bromine; potassium bromide; In water;

Reference yield: 87.1%

2-nitro-benzaldehyde (552-89-6) → 3,5-dibromo-2-amino benzaldehyde (50910-55-9)

Guidance literature:

2-nitro-benzaldehyde; With hydrogenchloride; iron; In ethanol; water; Reflux;

With dihydrogen peroxide; bromine; In ethanol; water;

Reference yield: 85.0%

C7H5Br4N → 3,5-dibromo-2-amino benzaldehyde (50910-55-9)

Guidance literature:

With sodium hydrogencarbonate; dimethyl amine; In water; at 10 - 40 ℃;

upstream raw materials:

o-aminobenzaldehyde

bromhexine monohydrochloride

ethanol

bromine

Downstream raw materials:

2-azido-3,5-dibromobenzaldehyde

N-(2-amino-3,5-dibromo-benzyl)-methionine

C₁₃H₆⁽²⁾H₁₀Br₂N₂O

(S)-5,7-dibromo-2-phenyl-1,2,3,4-tetrahydroacridine

Refernces

• 1、 Fansher, Douglas J.,Granger, Richard,Kaur, Satinderpal,Palmer, David R. J.. "Repurposing an Aldolase for the Chemoenzymatic Synthesis of Substituted Quinolines". . p. 6939 - 6943. Retrieved 2021/06/28.
• 2、 -. "Preparation method of ambroxol hydrochloride". . . Retrieved 2020/05/14.