6-Bromohexanamide

Base Information

• Chemical Name: 6-Bromohexanamide
• CAS No.: 57817-55-7
• Molecular Formula: C6H12BrNO
• Molecular Weight: 194.071
• Hs Code.: 2924199090
• European Community (EC) Number: 611-582-6
• NSC Number: 277296
• DSSTox Substance ID: DTXSID60313789
• Nikkaji Number: J1.442.628K
• Wikidata: Q82065052
• Mol file: 57817-55-7.mol

Synonyms:6-bromohexanamide;6-Bromohexaneamide;57817-55-7;6-bromocaproamide;6-Bromo-hexanoic acid amide;MFCD00236597;6-bromanylhexanamide;NSC277296;4-bromobutyl acetamide;SCHEMBL396823;6-Bromohexanamide, AldrichCPR;DTXSID60313789;AKOS006273647;FS-4138;NSC 277296;NSC-277296;BP-13217;SY103908;CS-0138401;FT-0640488;EN300-206183;A831622

Chemical Property of 6-Bromohexanamide

Chemical Property:

• Vapor Pressure: 0.000225mmHg at 25°C
• Melting Point: 104-106°C
• Refractive Index: 1.493
• Boiling Point: 325.8 °C at 760 mmHg
• PKA: 16.57±0.40(Predicted)
• Flash Point: 150.8 °C
• PSA: 43.09000
• Density: 1.37 g/cm³
• LogP: 2.12730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 193.01023
• Heavy Atom Count: 9
• Complexity: 85.1

Purity/Quality:

95% ^*data from raw suppliers

6-Bromohexaneamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)N)CCBr

Technology Process of 6-Bromohexanamide

There total 6 articles about 6-Bromohexanamide 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: 94.0%

6-bromohexanoyl chloride (22809-37-6) → 6-bromohexanamide (57817-55-7)

Guidance literature:

With ammonia; at -10 - 0 ℃; for 0.5h;

DOI:10.1039/c2ob27186a

Reference yield: 93.0%

6-bromohexanoic acid (4224-70-8) → 6-bromohexanamide (57817-55-7)

Guidance literature:

With ammonium chloride; N-ethyl-N,N-diisopropylamine; S-(1-oxido-2-pyridyl)-thio-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)01775-5

Reference yield:

C9H15BrO4 (151823-76-6) → 6-bromohexanamide (57817-55-7)

Guidance literature:

With ammonium hydroxide; In acetone; for 2h; Yield given;

DOI:10.1002/hlca.19830660741

upstream raw materials:

6-methoxyhexanenitrile

6-bromohexanoyl chloride

C₉H₁₅BrO₄

6-bromohexanoic acid

Downstream raw materials:

6-bromo-1-hexanenitrile

6-(4-phenyl-piperazin-1-yl)-hexanoic acid amide

5-bromopentylammonium chloride

6'-(4-mercapto-1-phenylpyrazolo[3,4-d]pyrimidin-6-ylthio)hexanamide