3-Bromopiperidin-4-one hydrobromide

Base Information

• Chemical Name: 3-Bromopiperidin-4-one hydrobromide
• CAS No.: 118652-88-3
• Molecular Formula: BrH*C₅H₈BrNO
• Molecular Weight: 258.941
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70557233
• Mol file: 118652-88-3.mol

Synonyms:3-Bromopiperidin-4-one hydrobromide;118652-88-3;3-BROMO-4-PIPERIDINONE HYDROBROMIDE;3-bromopiperidin-4-one;hydrobromide;3-Bromo-4-Piperidinone HBr;4-Piperidinone, 3-bromo-, hydrobromide;C5H9Br2NO;SCHEMBL505173;DTXSID70557233;3-bromo-4-piperidone hydrobromide;OEXCMWXGWPQSDP-UHFFFAOYSA-N;3-Bromopiperidin-4-onehydrobromide;AKOS015833551;AM85422;3-BROMO-PIPERIDIN-4-ONE HYDROBROMIDE;CS-0366069;D88110;3-Bromopiperidin-4-one--hydrogen bromide (1/1)

Chemical Property of 3-Bromopiperidin-4-one hydrobromide

Chemical Property:

• Vapor Pressure: 0.0578mmHg at 25°C
• Melting Point: 200-201 °C
• Boiling Point: 232.8 °C at 760 mmHg
• Flash Point: 94.6 °C
• PSA: 29.10000
• LogP: 1.59920
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 258.90304
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

3-Bromopiperidin-4-oneHydrobromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC(C1=O)Br.Br

Technology Process of 3-Bromopiperidin-4-one hydrobromide

There total 6 articles about 3-Bromopiperidin-4-one hydrobromide 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: 82.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 3-bromo-piperidin-4-one-hydrobromide (118652-88-3) + tert-butyl 3-bromo-4-oxo-piperidine-1-carboxylate (188869-05-8)

Guidance literature:

With bromine; In chloroform; for 2h; Ambient temperature;

DOI:10.1021/jm9705420

Reference yield: 41.0%

N-tert-butyloxycarbonylpiperidin-4-one (79099-07-3) → 3-bromo-piperidin-4-one-hydrobromide (118652-88-3)

Guidance literature:

With bromine; In chloroform; at 0 - 20 ℃; for 2h;

Reference yield:

4-piperidone hydrochloride (41979-39-9) → 3-bromo-piperidin-4-one-hydrobromide (118652-88-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / Et₃N / dimethylformamide / 24 h / Ambient temperature

2: 82 percent / Br₂ / CHCl₃ / 2 h / Ambient temperature

With bromine; triethylamine; In chloroform; N,N-dimethyl-formamide;

DOI:10.1021/jm9705420

upstream raw materials:

N-tert-butyloxycarbonylpiperidin-4-one

4-piperidone hydrochloride

Butyl 4-oxo-piperidine-1-carboxylate

4-piperidinone monohydrate

Downstream raw materials:

3-bromo-1-(trifluoroacetyl)piperidin-4-one

N-[1-(2-Guanidino-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-5-yl)-1-methylsulfanyl-meth-(Z)-ylidene]-4-methyl-benzenesulfonamide

tert-butyl 3-bromo-4-oxo-piperidine-1-carboxylate

2-phenoxycarbonylamino-6,7-dihydro-4H-thiazolo(5,4-c)pyridine-5-carboxylic acid tert-butyl ester

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