6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one

Base Information

• Chemical Name: 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one
• CAS No.: 59514-18-0
• Molecular Formula: C12H10BrNO
• Molecular Weight: 264.121
• European Community (EC) Number: 805-085-5
• Nikkaji Number: J1.058.410H
• ChEMBL ID: CHEMBL1608722
• Mol file: 59514-18-0.mol

Synonyms:6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one;59514-18-0;6-bromo-2,3,4,9-tetrahydrocarbazol-1-one;CBMicro_047706;Oprea1_618143;Oprea1_794478;MLS000053040;SCHEMBL2360729;CHEMBL1608722;HMS2424M11;AMY12319;MFCD00459403;STK735556;AKOS003237416;SB40602;AS-53517;SMR000069003;BIM-0047926.P001;6-bromo-1,2,3,4-tetrahydrocarbazol-1-one;CS-0050302;6-bromo-3,4-dihydro-2H-carbazol-1(9H)-one;A26103;EN300-127106;P16610;6-Bromo-1,2,3,4(9H)-tetrahydrocarbazol-1-one;AH-262/31953006;SR-01000457515;SR-01000457515-1;F0914-3919;Z1203159928

Chemical Property of 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one

Chemical Property:

• Vapor Pressure: 7.43E-08mmHg at 25°C
• Melting Point: 230oC (ethanol )
• Boiling Point: 437.5oC at 760 mmHg
• PKA: 14.17±0.20(Predicted)
• Flash Point: 218.4oC
• PSA: 32.86000
• Density: 1.636g/cm3
• LogP: 3.44940
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 262.99458
• Heavy Atom Count: 15
• Complexity: 281

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C(=O)C1)NC3=C2C=C(C=C3)Br

Technology Process of 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one

There total 29 articles about 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one 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%

9-acetyl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-one (876472-33-2) → 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one (59514-18-0)

Guidance literature:

With piperidine; potassium phosphate; johnphos; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In toluene; at 100 ℃;

DOI:10.1007/s11178-005-0257-0

Reference yield: 88.0%

2-[2-(4-bromophenyl)hydrazinylidene]cyclohexan-1-one (108606-59-3) → 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one (59514-18-0)

Guidance literature:

With hydrogenchloride; acetic acid; In water; at 120 ℃; for 0.333333h;

DOI:10.1016/j.bmcl.2009.05.003

Reference yield: 77.0%

4-bromophenylhydrazine hydrochloride (622-88-8,41931-18-4) + 2-aminocyclohexanone hydrochloride (6946-05-0) → 6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one (59514-18-0)

Guidance literature:

4-bromophenylhydrazine hydrochloride; 2-aminocyclohexanone hydrochloride; With sodium hydroxide; water; at 20 ℃; for 0.25h;

With water; acetic acid; for 5h; Reflux;

DOI:10.1080/00397910802499567

upstream raw materials:

1-oxo-2,3,4,9-tetrahydrocarbazole

cyclohexane-1,2-dione-mono-(4-bromo-phenylhydrazone)

(E)-2-(2-(4-bromophenyl)hydrazono)cyclohexan-1-one

cyclohexane-1,2-dione

Downstream raw materials:

[6-Bromo-2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-phenethyl-amine

9-benzyl-6-bromo-1,2,3,4-tetrahydrocarbazol-1-one

6-bromo-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

6-bromo-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine