6-Bromoquinoline-2-carbaldehyde

Base Information

• Chemical Name: 6-Bromoquinoline-2-carbaldehyde
• CAS No.: 98948-91-5
• Molecular Formula: C10H6BrNO
• Molecular Weight: 236.068
• Hs Code.: 2933499090
• European Community (EC) Number: 960-186-2
• DSSTox Substance ID: DTXSID30593213
• Wikidata: Q82487654
• Mol file: 98948-91-5.mol

Synonyms:6-BROMOQUINOLINE-2-CARBALDEHYDE;98948-91-5;6-Bromoquinoline-2-carboxaldehyde;Quinaldaldehyde, 6-bromo-;6-Bromo-2-quinolinecarboxaldehyde;6-bromo-2-quinolinecarboxaldehyde;SCHEMBL1002564;6-bromo-quinoline-2-carbaldehyde;DTXSID30593213;VQOCWJMSBFLQKK-UHFFFAOYSA-N;AMY26329;YDA94891;MFCD06824164;AKOS016023853;SB71733;DA-00050;DS-16588;CS-0021477;EN300-2239874;A850493;Z1269142702

Chemical Property of 6-Bromoquinoline-2-carbaldehyde

Chemical Property:

• PSA: 29.96000
• LogP: 2.80980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.96328
• Heavy Atom Count: 13
• Complexity: 197

Purity/Quality:

97% ^*data from raw suppliers

6-Bromoquinoline-2-carboxaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CC(=N2)C=O)C=C1Br
• Uses: 6-Bromoquinoline-2-carboxaldehyde is a reagent used in the synthesis of histone deacetylase (HDAC) inhibitor; an anti-cancer agent.

Technology Process of 6-Bromoquinoline-2-carbaldehyde

There total 3 articles about 6-Bromoquinoline-2-carbaldehyde 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: 98.0%

6-Bromo-2-methyl-quinoline (877-42-9) → 6-bromoquinoline-2-carboxaldehyde (98948-91-5)

Guidance literature:

With selenium(IV) oxide; In 1,4-dioxane; at 60 - 80 ℃; for 3h;

Reference yield:

4-bromo-aniline (106-40-1) → 6-bromoquinoline-2-carboxaldehyde (98948-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogenchloride / water / 4 h / 0 °C / Reflux

1.2: 0 °C

2.1: selenium(IV) oxide / 1,4-dioxane / 3 h / 60 - 80 °C

With hydrogenchloride; selenium(IV) oxide; In 1,4-dioxane; water; 1.1: Doebner-Miller Synthesis;

Reference yield:

6-bromo-4-ethoxy-2-methyl-1,2,3,4-tetrahydro-quinoline (1080-92-8) → 6-bromoquinoline-2-carboxaldehyde (98948-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Reflux

2: selenium(IV) oxide / 1,4-dioxane / 80 °C / Inert atmosphere

With selenium(IV) oxide; In 1,4-dioxane;

DOI:10.1016/j.ejmech.2019.111618

upstream raw materials:

6-Bromo-2-methyl-quinoline

4-bromo-aniline

6-bromo-4-ethoxy-2-methyl-1,2,3,4-tetrahydro-quinoline

Downstream raw materials:

7-bromo-1-phenylimidazo[1,5-a]quinoline

6-bromo-2-tosyl-1,2,3,3',4',9-hexahydro-1'H-spiro[pyrido[3,4-b]indole-4,2'-quinoline]

N-((5-bromo-1H-indol-2-yl)methyl)-4-methyl-N-((1,2,3,4-tetrahydroquinolin-2-yl)methyl)benzenesulfonamide

N-((5-bromo-1H-indol-2-yl)methyl)-4-methyl-N-(quinolin-2-ylmethyl)benzenesulfonamide

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