1-Bromo-3-methyl-3-nitrobutane

Base Information

• Chemical Name: 1-Bromo-3-methyl-3-nitrobutane
• CAS No.: 23101-98-6
• Molecular Formula: C₅H₁₀BrNO₂
• Molecular Weight: 196.044
• Hs Code.: 2904909090
• NSC Number: 116812
• DSSTox Substance ID: DTXSID90297609
• Nikkaji Number: J141.097K
• Wikidata: Q82038802
• Mol file: 23101-98-6.mol

Synonyms:1-Bromo-3-methyl-3-nitrobutane;23101-98-6;Butane, 1-bromo-3-methyl-3-nitro-;NSC116812;DTXSID90297609;BGSYPAWCMYERMA-UHFFFAOYSA-N;1-Bromo-3-methyl-3-nitrobutane #;NSC-116812

Chemical Property of 1-Bromo-3-methyl-3-nitrobutane

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Boiling Point: 217.9°C at 760 mmHg
• Flash Point: 85.6°C
• PSA: 45.82000
• Density: 1.43g/cm³
• LogP: 2.34990
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 194.98949
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CCBr)[N+](=O)[O-]

Technology Process of 1-Bromo-3-methyl-3-nitrobutane

There total 1 articles about 1-Bromo-3-methyl-3-nitrobutane 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:

ethyl 4-methyl-4-nitro-pentanoate (23102-02-5) → 3-Methyl-3-nitro-butylbromid (23101-98-6)

Guidance literature:

Multistep reaction; (i) aq. KOH, (ii) aq. AgNO₃, NaOH, MeOH, (iii) Br₂, CCl₄;

Reference yield:

3-Methyl-3-nitro-butylbromid (23101-98-6) + Diphenylacetonitrile (86-29-3) → 2,2-Diphenyl-5-nitro-5-methyl-capronitril (23101-99-7)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride;

Reference yield:

3-Methyl-3-nitro-butylbromid (23101-98-6) + phenylacetonitrile (140-29-4) → 2-Phenyl-5-methyl-5-nitro-capronitril (23102-01-4)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride;

upstream raw materials:

ethyl 4-methyl-4-nitro-pentanoate

Downstream raw materials:

2,2-Diphenyl-5-nitro-5-methyl-capronitril

2-Phenyl-5-methyl-5-nitro-capronitril

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